Detailed information for compound 108160

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.444 | Formula: C20H31N2O6P
  • H donors: 3 H acceptors: 5 LogP: -1.22 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)OP(=O)(CCCc1ccccc1)O
  • InChi: 1S/C20H31N2O6P/c21-13-5-4-12-18(19(23)22-14-6-11-17(22)20(24)25)28-29(26,27)15-7-10-16-8-2-1-3-9-16/h1-3,8-9,17-18H,4-7,10-15,21H2,(H,24,25)(H,26,27)/t17-,18-/m0/s1
  • InChiKey: GMRVUZRLSFXTKV-ROUUACIJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Angiotensin-converting enzyme Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi proteasome subunit beta type 1 0.0063 0.0205 0.0205
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0081 0.0303 0.0303
Entamoeba histolytica cysteine proteinase 2 0.0176 0.0814 0.346
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0165
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0161 0.0736 0.3126
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.0736 0.0691
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Brugia malayi cathepsin F-like cysteine proteinase 0.0161 0.0736 0.0736
Schistosoma mansoni cathepsin B (C01 family) 0.0161 0.0736 0.0691
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Trypanosoma cruzi cysteine peptidase, putative 0.046 0.2353 0.2353
Giardia lamblia Cathepsin B precursor 0.0161 0.0736 0.1873
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0081 0.0303 0.0303
Entamoeba histolytica cysteine proteinase, putative 0.0445 0.2274 0.9665
Trypanosoma brucei proteasome beta 6 subunit 0.0063 0.0205 0.0569
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0131 0.0084
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0039 0.0075 0.0208
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0056 0.0056
Brugia malayi Hemopexin family protein 0.0063 0.0202 0.0202
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.016 0.0732 0.068
Onchocerca volvulus Cathepsin L homolog 0.0161 0.0736 0.2957
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Brugia malayi Cathepsin L-like precursor 0.0445 0.2274 0.2274
Toxoplasma gondii cathepsin CPC2 0.0161 0.0736 0.2043
Toxoplasma gondii proteasome subunit beta type, putative 0.0081 0.0303 0.0841
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.0736 0.0736
Trypanosoma cruzi cysteine proteinase, putative 0.0176 0.0814 0.0814
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0054 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Brugia malayi cathepsin L precursor 0.0161 0.0736 0.0736
Echinococcus multilocularis cathepsin b 0.1872 1 1
Leishmania major kinesin, putative 0.0025 0 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0109 0.0061
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0036 0.0059 0.0059
Toxoplasma gondii preprocathepsin c precursor, putative 0.0161 0.0736 0.2043
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0161 0.0736 0.1916
Loa Loa (eye worm) matrixin family protein 0.0107 0.0441 0.0441
Trypanosoma cruzi cysteine peptidase, putative 0.046 0.2353 0.2353
Brugia malayi Papain family cysteine protease containing protein 0.0176 0.0814 0.0814
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0161 0.0736 0.3125
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1872 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0056 0.0008
Plasmodium falciparum serine repeat antigen 4 0.0161 0.0736 0.3126
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0161 0.0736 0.3126
Brugia malayi proteasome subunit beta type 2 0.0039 0.0075 0.0075
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Plasmodium falciparum serine repeat antigen 7 0.0161 0.0736 0.3126
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.069 0.3601 1
Echinococcus granulosus calpain A 0.0036 0.0059 0.0003
Schistosoma mansoni hypothetical protein 0.0168 0.0772 0.0728
Echinococcus multilocularis calpain 0.0036 0.0059 0.0003
Onchocerca volvulus Matrilysin homolog 0.0044 0.0102 0.02
Brugia malayi beta-lactamase family protein 0.0036 0.0056 0.0056
Plasmodium falciparum cysteine proteinase falcipain 2a 0.046 0.2353 1
Loa Loa (eye worm) ctsf protein 0.046 0.2353 0.2353
Trypanosoma brucei cysteine peptidase C (CPC) 0.069 0.3601 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0081 0.0303 0.0647
Loa Loa (eye worm) calpain family protein 1 0.0071 0.0246 0.0246
Echinococcus granulosus tumor protein p63 0.0338 0.1694 0.1647
Entamoeba histolytica hypothetical protein 0.0161 0.0736 0.3125
Onchocerca volvulus 0.0049 0.0131 0.0326
Schistosoma mansoni cathepsin F (C01 family) 0.046 0.2353 0.2316
Trypanosoma cruzi cysteine protease, putative 0.0176 0.0814 0.0814
Onchocerca volvulus 0.046 0.2353 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Giardia lamblia Cathepsin B precursor 0.069 0.3601 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.046 0.2353 0.2309
Onchocerca volvulus Matrilysin homolog 0.0098 0.0393 0.1467
Loa Loa (eye worm) hypothetical protein 0.0445 0.2274 0.2274
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0059
Brugia malayi Matrixin family protein 0.0107 0.0441 0.0441
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.0736 0.0736
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0056 0.024
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Plasmodium falciparum serine repeat antigen 9 0.0161 0.0736 0.3126
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0165
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Brugia malayi cathepsin Z-like cysteine proteinase 0.0161 0.0736 0.0736
Mycobacterium ulcerans proteasome PrcB 0.0081 0.0303 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.0736 0.0691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Echinococcus granulosus cathepsin l1 0.046 0.2353 0.2309
Trypanosoma cruzi cysteine peptidase, putative 0.046 0.2353 0.2353
Echinococcus granulosus geminin 0.0168 0.0772 0.072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0109 0.0053
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Leishmania major cysteine peptidase A (CPA) 0.046 0.2353 0.6534
Plasmodium vivax vivapain-2 0.046 0.2353 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0165
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0161 0.0736 0.0691
Echinococcus multilocularis cysteine protease 0.046 0.2353 0.2309
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0109 0.0109
Plasmodium vivax vivapain-1 0.0176 0.0814 0.3461
Plasmodium falciparum cysteine proteinase falcipain 3 0.046 0.2353 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0063 0.0205 0.0869
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Onchocerca volvulus 0.046 0.2353 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0165
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Entamoeba histolytica cysteine protease, putative 0.046 0.2353 1
Onchocerca volvulus 0.046 0.2353 1
Brugia malayi MH2 domain containing protein 0.0118 0.0504 0.0504
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Plasmodium vivax unspecified product 0.0176 0.0814 0.3461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0161 0.0736 0.3126
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0063 0.0205 0.0419
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1872 1 1
Loa Loa (eye worm) cathepsin B 0.069 0.3601 0.3601
Brugia malayi fibroinase precursor 0.0161 0.0736 0.0736
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0081 0.0303 0.1286
Entamoeba histolytica cysteine proteinase 1, putative 0.0176 0.0814 0.346
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0059
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0059
Onchocerca volvulus 0.0445 0.2274 0.9657
Giardia lamblia Hypothetical protein 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0039 0.0075 0.0052
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0081 0.0303 0.2369
Loa Loa (eye worm) hypothetical protein 0.046 0.2353 0.2353
Onchocerca volvulus Cathepsin L homolog 0.046 0.2353 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0102 0.0102
Brugia malayi Papain family cysteine protease containing protein 0.046 0.2353 0.2353
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Loa Loa (eye worm) hypothetical protein 0.006 0.0187 0.0187
Brugia malayi Matrixin family protein 0.0044 0.0102 0.0102
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0081 0.0303 0.0841
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.01 0.0406 0.0352
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Leishmania major proteasome beta 2 subunit, putative 0.0039 0.0075 0.0208
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0161 0.0736 0.3126
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0081 0.0303 0.0303
Loa Loa (eye worm) calpain 0.0036 0.0059 0.0059
Giardia lamblia Cysteine protease 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0134 0.0134
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.3918 0.3918
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Brugia malayi cathepsin L-like precursor 0.0445 0.2274 0.2274
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0056 0.0056
Giardia lamblia Cysteine protease 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.0736 0.1916
Brugia malayi calpain family protein 1 0.0096 0.0383 0.0383
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0161 0.0736 0.1873
Loa Loa (eye worm) hypothetical protein 0.0044 0.0102 0.0102
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0176 0.0814 0.0814
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Brugia malayi beta-lactamase family protein 0.0036 0.0056 0.0056
Leishmania major proteasome beta 5 subunit, putative 0.0081 0.0303 0.0841
Echinococcus multilocularis cathepsin L cysteine protease 0.046 0.2353 0.2309
Echinococcus granulosus cathepsin L 0.0161 0.0736 0.0683
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.0736 0.1916
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0109 0.0053
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.01 0.0406 0.036
Toxoplasma gondii cathepsin B 0.069 0.3601 1
Loa Loa (eye worm) matrix metalloproteinase 0.0044 0.0102 0.0102
Echinococcus multilocularis integrin beta 2 0.1115 0.5901 0.5878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Echinococcus multilocularis cathepsin l cysteine peptidase 0.046 0.2353 0.2309
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0445 0.2274 0.6257
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0056 0.0157
Loa Loa (eye worm) proteasome subunit beta type 1 0.0063 0.0205 0.0205
Schistosoma mansoni cathepsin S (C01 family) 0.0161 0.0736 0.0691
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Trypanosoma cruzi cysteine proteinase, putative 0.0176 0.0814 0.0814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0109 0.0061
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.1097 1
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Schistosoma mansoni hypothetical protein 0.0168 0.0772 0.0728
Plasmodium falciparum serine repeat antigen 5 0.0161 0.0736 0.3126
Trypanosoma cruzi cysteine peptidase, putative 0.046 0.2353 0.2353
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.0814 0.346
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0063 0.0202 0.0155
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.0814 0.2261
Giardia lamblia Cathepsin B precursor 0.0161 0.0736 0.1873
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.069 0.3601 0.3601
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.3918 0.3918
Trypanosoma brucei kinesin, putative 0.0025 0 0.0001
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0161 0.0736 0.3126
Brugia malayi Kelch motif family protein 0.0239 0.1158 0.1158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Giardia lamblia Cathepsin L-like protease 0.0161 0.0736 0.1873
Plasmodium vivax proteasome subunit beta type-2, putative 0.0039 0.0075 0.0319
Onchocerca volvulus 0.0044 0.0102 0.02
Giardia lamblia Proteasome subunit beta type 1 0.0063 0.0205 0.0368
Onchocerca volvulus 0.006 0.0187 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0109 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0161 0.0736 0.1916
Loa Loa (eye worm) calpain family protein 1 0.0096 0.0383 0.0383
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0176 0.0814 0.077
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.0736 0.0691
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0056 0.0056
Loa Loa (eye worm) matrixin family protein 0.0098 0.0393 0.0393
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0109 0.0053
Plasmodium vivax serine-repeat antigen (SERA) 0.0161 0.0736 0.3126
Loa Loa (eye worm) beta-lactamase 0.0036 0.0056 0.0056
Echinococcus granulosus proteasome prosome macropain 0.0081 0.0303 0.0248
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Plasmodium vivax proteasome subunit beta type-5, putative 0.0081 0.0303 0.1288
Brugia malayi Cathepsin L-like precursor 0.0445 0.2274 0.2274
Echinococcus multilocularis hypothetical protein 0.0036 0.0059 0.0003
Giardia lamblia Hypothetical protein 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Giardia lamblia Cysteine protease 0.0161 0.0736 0.1873
Echinococcus granulosus cathepsin L cysteine protease 0.0176 0.0814 0.0762
Echinococcus multilocularis proteasome (prosome, macropain) 0.0081 0.0303 0.0248
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Schistosoma mansoni calpain (C02 family) 0.0036 0.0059 0.0011
Echinococcus granulosus cathepsin L 0.0176 0.0814 0.0762
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0445 0.2274 0.2274
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0059
Echinococcus multilocularis calpain 5 0.0036 0.0059 0.0003
Echinococcus granulosus cathepsin l1 0.0445 0.2274 0.223
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0039 0.0075 0.0075
Trypanosoma cruzi cysteine peptidase, putative 0.0176 0.0814 0.0814
Giardia lamblia Cathepsin B precursor 0.069 0.3601 1
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Onchocerca volvulus 0.046 0.2353 1
Trypanosoma brucei antigen, putative 0.0036 0.0059 0.0165
Plasmodium vivax calpain, putative 0.0036 0.0059 0.0252
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0063 0.0205 0.0569
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0063 0.0205 0.0149
Plasmodium falciparum serine repeat antigen 1 0.0161 0.0736 0.3126
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0161 0.0736 0.1916
Onchocerca volvulus 0.046 0.2353 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.046 0.2353 0.2353
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Loa Loa (eye worm) hypothetical protein 0.0085 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0445 0.2274 0.2274
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.0814 0.2138
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Echinococcus granulosus integrin beta 2 0.1115 0.5901 0.5878
Loa Loa (eye worm) hypothetical protein 0.0239 0.1158 0.1158
Echinococcus granulosus cathepsin b 0.1872 1 1
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Plasmodium vivax vivapain-3 0.0176 0.0814 0.3461
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0161 0.0736 0.3126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0176 0.0814 0.2138
Brugia malayi Cathepsin L-like precursor 0.046 0.2353 0.2353
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.0736 0.1916
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Echinococcus multilocularis cathepsin l cysteine peptidase 0.046 0.2353 0.2309
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.0736 0.1916
Brugia malayi Cathepsin L-like cysteine proteinase 0.0445 0.2274 0.2274
Plasmodium falciparum cysteine proteinase falcipain 2b 0.046 0.2353 1
Loa Loa (eye worm) fibroinase 0.046 0.2353 0.2353
Brugia malayi Integrin beta pat-3 precursor 0.1523 0.8109 0.8109
Plasmodium falciparum serine repeat antigen 8 0.0161 0.0736 0.3126
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.0736 0.0736
Echinococcus multilocularis cathepsin b 0.1872 1 1
Echinococcus granulosus calpain 0.0036 0.0059 0.0003
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Echinococcus granulosus calpain 7 C02 family 0.0036 0.0059 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0504 0.0504
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0039 0.0075 0.0019
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Entamoeba histolytica cysteine proteinase, putative 0.046 0.2353 1
Schistosoma mansoni calpain-7 (C02 family) 0.0039 0.0075 0.0027
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0161 0.0736 0.1916
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0176 0.0814 0.2261
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0109 0.0109
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.046 0.2353 0.6479
Echinococcus multilocularis tumor protein p63 0.0338 0.1694 0.1647
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0161 0.0736 0.0736
Echinococcus multilocularis cysteine protease 0.046 0.2353 0.2309
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0161 0.0736 0.3126
Brugia malayi Matrixin family protein 0.0044 0.0102 0.0102
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0044 0.0102 0.0055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Brugia malayi Matrixin family protein 0.0044 0.0102 0.0102
Trypanosoma brucei calpain-like protein, putative 0.0036 0.0059 0.0165
Loa Loa (eye worm) hypothetical protein 0.0034 0.0048 0.0048
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.01 0.0406 0.0352
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0161 0.0736 0.0691
Schistosoma mansoni Mername-AA248 (C02 family) 0.0036 0.0059 0.0011
Loa Loa (eye worm) hypothetical protein 0.0445 0.2274 0.2274
Onchocerca volvulus 0.046 0.2353 1
Echinococcus multilocularis cathepsin L 0.0176 0.0814 0.0762
Brugia malayi hypothetical protein 0.0239 0.1158 0.1158
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Plasmodium falciparum serine repeat antigen 2 0.0161 0.0736 0.3126
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.01 0.0406 0.036
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0161 0.0736 0.0736
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0059
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0039 0.0075 0.0052
Onchocerca volvulus Cathepsin L homolog 0.046 0.2353 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0056 0.0008
Loa Loa (eye worm) hypothetical protein 0.0049 0.0131 0.0131
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.0736 0.1916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0109 0.0053
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0176 0.0814 0.077
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.0814 0.346
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.1872 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.0736 0.0691
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0134 0.0134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0134 0.0134
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.0205 0.0205
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0161 0.0736 0.3126
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0445 0.2274 0.6257
Entamoeba histolytica cysteine proteinase, putative 0.046 0.2353 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0036 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0096 0.0383 0.0383
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0063 0.0205 0.0871
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0081 0.0303 1
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.0736 0.1916
Plasmodium falciparum serine repeat antigen 3 0.0161 0.0736 0.3126
Echinococcus granulosus calpain 5 0.0036 0.0059 0.0003
Schistosoma mansoni cathepsin F (C01 family) 0.046 0.2353 0.2316
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.0814 0.346
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0161 0.0736 0.1916
Echinococcus granulosus cathepsin L cysteine proteinase 0.046 0.2353 0.2309
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0039 0.0075 0.0317
Entamoeba histolytica cysteine proteinase, putative 0.0176 0.0814 0.346
Loa Loa (eye worm) hypothetical protein 0.0044 0.0102 0.0102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Echinococcus granulosus calpain A 0.01 0.0406 0.0352
Echinococcus multilocularis calpain family protein 1, d 0.0071 0.0246 0.019
Echinococcus granulosus cysteine protease 0.0176 0.0814 0.0762
Brugia malayi Matrixin family protein 0.0044 0.0102 0.0102
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Schistosoma mansoni calpain-7 (C02 family) 0.0039 0.0075 0.0027
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0039 0.0075 0.0027
Trypanosoma cruzi major cysteine proteinase, putative 0.0161 0.0736 0.0736
Onchocerca volvulus Cathepsin F homolog 0.046 0.2353 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0161 0.0736 0.0736
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Onchocerca volvulus 0.0161 0.0736 0.2957
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0165
Trypanosoma cruzi major cysteine proteinase, putative 0.0161 0.0736 0.0736
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1872 1 1
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0081 0.0303 0.0256
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0504 0.0504
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0039 0.0075 0.0319
Brugia malayi calpain 7 0.0036 0.0059 0.0059
Echinococcus multilocularis calpain 7 (C02 family) 0.0036 0.0059 0.0003
Loa Loa (eye worm) hypothetical protein 0.0071 0.0246 0.0246
Brugia malayi Papain family cysteine protease containing protein 0.0176 0.0814 0.0814
Giardia lamblia Cathepsin B precursor 0.0161 0.0736 0.1873
Schistosoma mansoni cathepsin F (C01 family) 0.0445 0.2274 0.2237
Plasmodium falciparum serine repeat antigen 6 0.0161 0.0736 0.3126
Mycobacterium ulcerans hydrolase 0.0054 0.0154 0.3974
Brugia malayi beta-lactamase 0.0036 0.0056 0.0056
Schistosoma mansoni cathepsin C 0.0161 0.0736 0.0691
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.005 0.0134 0.0134
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0161 0.0736 0.3125
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Loa Loa (eye worm) proteasome subunit beta type 2 0.0039 0.0075 0.0075
Schistosoma mansoni calpain C (C02 family) 0.0036 0.0059 0.0011
Toxoplasma gondii cathepsin CPC1 0.0161 0.0736 0.2043
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.046 0.2353 0.6479
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0096 0.0383 0.0336
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Trypanosoma brucei calpain-like protein, putative 0.0036 0.0059 0.0165
Trypanosoma brucei calpain-like protein, putative 0.0036 0.0059 0.0165
Giardia lamblia Cathepsin L precursor 0.0161 0.0736 0.1873
Giardia lamblia Cysteine protease 0.0161 0.0736 0.1873
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0054 0.0154 0.0942
Onchocerca volvulus 0.0063 0.0202 0.0635
Plasmodium vivax proteasome subunit beta type-1, putative 0.0063 0.0205 0.0871
Giardia lamblia Cathepsin B precursor 0.0161 0.0736 0.1873
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0161 0.0736 0.1873
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0161 0.0736 0.1873
Brugia malayi calpain family protein 1 0.0096 0.0383 0.0383
Echinococcus multilocularis geminin 0.0168 0.0772 0.072
Echinococcus multilocularis cathepsin L 0.0161 0.0736 0.0683
Toxoplasma gondii cathepsin CPL 0.046 0.2353 0.6534
Leishmania major cathepsin L-like protease 0.046 0.2353 0.6534
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.0205 0.0205
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0239 0.1158 0.1158
Plasmodium falciparum cysteine proteinase falcipain 1 0.0176 0.0814 0.3461
Onchocerca volvulus Matrix metalloproteinase homolog 0.0098 0.0393 0.1467
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0161 0.0736 0.1916
Schistosoma mansoni integrin beta subunit 0.0876 0.4606 0.458
Leishmania major hypothetical protein, conserved 0.0036 0.0056 0.0157
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.069 0.3601 0.357
Loa Loa (eye worm) hypothetical protein 0.0054 0.0154 0.0154
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.0736 0.0736
Mycobacterium leprae PROBABLE HYDROLASE 0.0054 0.0154 0.3974
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.046 0.2353 0.6534
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0161 0.0736 0.3126
Loa Loa (eye worm) papain family cysteine protease containing protein 0.046 0.2353 0.2353
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0039 0.0075 0.0027
Trypanosoma brucei calpain-like protein, putative 0.0036 0.0059 0.0165
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0161 0.0736 0.3126
Trypanosoma cruzi cruzipain precursor, putative 0.046 0.2353 0.2353
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0081 0.0303 0.0695
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0161 0.0736 0.3126
Echinococcus multilocularis cathepsin L cysteine protease 0.046 0.2353 0.2309
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0036 0.0059 0.0059
Echinococcus granulosus cathepsin b 0.1872 1 1
Echinococcus multilocularis calpain A 0.01 0.0406 0.0352
Onchocerca volvulus 0.046 0.2353 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0056
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Giardia lamblia Cathepsin B precursor 0.069 0.3601 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0161 0.0736 0.3126
Entamoeba histolytica cysteine protease, putative 0.0176 0.0814 0.346
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.069 0.3601 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0161 0.0736 0.1916
Loa Loa (eye worm) hypothetical protein 0.0161 0.0736 0.0736
Giardia lamblia Cathepsin B precursor 0.0161 0.0736 0.1873
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.016 0.0732 0.068
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0063 0.0205 0.0569
Brugia malayi Proteasome A-type and B-type family protein 0.0081 0.0303 0.0303
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0161 0.0736 0.3126
Toxoplasma gondii ABC1 family protein 0.0036 0.0056 0.0157
Giardia lamblia Cathepsin L-like protease 0.0161 0.0736 0.1873
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0039 0.0075 0.0019
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1872 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0063 0.0205 0.0149
Giardia lamblia Encystation-specific protease 0.0161 0.0736 0.1873
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1872 1 1
Entamoeba histolytica cysteine protease, putative 0.0161 0.0736 0.3125
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0161 0.0736 0.1916
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.046 0.2353 0.6479
Loa Loa (eye worm) cysteine protease 0.046 0.2353 0.2353
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.0736 0.0691
Plasmodium falciparum proteasome subunit beta type-5 0.0081 0.0303 0.1288
Brugia malayi cathepsin Z-like cysteine proteinase 0.0161 0.0736 0.0736
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0063 0.0205 0.0158
Loa Loa (eye worm) integrin beta-2 0.1523 0.8109 0.8109
Plasmodium vivax vivapain-2 0.046 0.2353 1
Plasmodium vivax unspecified product 0.0161 0.0736 0.3126
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0161 0.0736 0.0691
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0161 0.0736 0.3126
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0161 0.0736 0.0691
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0176 0.0814 0.077
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.046 0.2353 0.6479
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0039 0.0075 0.0208
Trypanosoma cruzi 20S proteasome subunit 0.0039 0.0075 0.0075

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.069 uM kg-1 In vivo inhibition of angiotensin I induced pressor effect after iv administration in rats ChEMBL. 3336020
ED50 (functional) = 2.62 uM kg-1 In vivo inhibition of angiotensin I induced pressor effect after po administration in rats ChEMBL. 3336020
I50 (binding) = 190 nM In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippurylhistidylleucine as substrate ChEMBL. 3336020
IC50 (binding) = 190 nM In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippurylhistidylleucine as substrate ChEMBL. 3336020
Inhibition (functional) = 67 % In vivo inhibition angiotensin I induced pressor effect after po administrationof 5 umol/kg in rats ChEMBL. 3336020

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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