Detailed information for compound 1805811

Basic information

Technical information
  • TDR Targets ID: 1805811
  • Name: 78213-65-7
  • MW: 618.202 | Formula: C37H44ClNO5
  • H donors: 3 H acceptors: 2 LogP: 5.16 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=C)[C@H]1O[C@H]2CC[C@]3([C@@]([C@]42[C@@H]([C@H]1O)O4)(O)CC[C@@H]1[C@]3(C)c2[nH]c3c4c2[C@H]1OC(C)(C)[C@@H]1[C@H]2c4c(c(c3)Cl)CC(=C)[C@H]2C1)C
  • InChi: 1S/C37H44ClNO5/c1-15(2)29-28(40)32-37(44-32)23(42-29)9-10-34(6)35(7)19(8-11-36(34,37)41)30-27-26-22(39-31(27)35)14-21(38)18-12-16(3)17-13-20(24(17)25(18)26)33(4,5)43-30/h14,17,19-20,23-24,28-30,32,39-41H,1,3,8-13H2,2,4-7H3/t17-,19+,20+,23+,24+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1
  • InChiKey: YWORPEZTBDVGCS-JCMMWUKFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7,8-(Epoxymethano)-2H,6H-cyclobuta(5,6)benz(1,2-e)oxireno(4',4'a)-1-benzopyrano(5',6':6,7)indeno(1,2-b)indole-3,4b(5H)-diol,12-chloro-3,3a,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3S,3aR,4aS,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Onchocerca volvulus Cathepsin L homolog 0.0347 0.1167 0.2094
Brugia malayi Papain family cysteine protease containing protein 0.1549 0.5527 0.5527
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0036 0.0492
Toxoplasma gondii prefoldin subunit 6, putative 0.0063 0.0134 0.0222
Brugia malayi calpain family protein 1 0.0054 0.0102 0.0102
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.1167 0.2059
Brugia malayi Papain family cysteine protease containing protein 0.0347 0.1167 0.1167
Trypanosoma cruzi cysteine protease, putative 0.0835 0.2934 0.2909
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Echinococcus multilocularis cathepsin b 0.2782 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Brugia malayi beta-lactamase family protein 0.0036 0.0036 0.0036
Entamoeba histolytica cysteine proteinase, putative 0.0835 0.2934 0.5278
Onchocerca volvulus 0.0036 0.0036 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Entamoeba histolytica cysteine proteinase, putative 0.1062 0.3759 0.6781
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Mycobacterium ulcerans lipase LipD 0.0036 0.0036 1
Onchocerca volvulus 0.003 0.0015 0.0007
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Trypanosoma cruzi prefoldin subunit, putative 0.0063 0.0134 0.0098
Brugia malayi cathepsin F-like cysteine proteinase 0.0347 0.1167 0.1167
Echinococcus multilocularis cysteine protease 0.1549 0.5527 0.5522
Plasmodium falciparum serine repeat antigen 1 0.0347 0.1167 0.1914
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Brugia malayi Cathepsin L-like precursor 0.0487 0.1674 0.1674
Loa Loa (eye worm) hypothetical protein 0.0029 0.0012 0.0012
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.11 0.3899 0.3876
Giardia lamblia Hypothetical protein 0.0347 0.1167 0.2743
Brugia malayi Papain family cysteine protease containing protein 0.0835 0.2934 0.2934
Echinococcus multilocularis prefoldin subunit 6 0.0063 0.0134 0.0123
Toxoplasma gondii cathepsin CPC1 0.0347 0.1167 0.2094
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.1167 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1062 0.3759 0.6781
Plasmodium falciparum serine repeat antigen 8 0.0347 0.1167 0.1914
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0012 0.0004
Onchocerca volvulus 0.0034 0.0028 0.003
Trypanosoma cruzi cysteine peptidase, putative 0.1549 0.5527 0.5511
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.1062 0.3759 0.3737
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0063 0.0134 0.0134
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0835 0.2934 0.2909
Plasmodium vivax unspecified product 0.0487 0.1674 0.3015
Giardia lamblia Cathepsin B precursor 0.0347 0.1167 0.2743
Loa Loa (eye worm) cathepsin B 0.11 0.3899 0.3899
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0487 0.1674 0.1674
Brugia malayi Cathepsin L-like precursor 0.1062 0.3759 0.3759
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0036 0.0024
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1549 0.5527 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0036 0.0044
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0347 0.1167 0.1156
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2782 1 1
Schistosoma mansoni hypothetical protein 0.0175 0.0542 0.0531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0347 0.1167 0.2059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1062 0.3759 0.6781
Echinococcus granulosus cathepsin L cysteine proteinase 0.1549 0.5527 0.5524
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.11 0.3899 0.7034
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Trichomonas vaginalis conserved hypothetical protein 0.0347 0.1167 0.2059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0036 1
Schistosoma mansoni cathepsin F (C01 family) 0.1549 0.5527 0.5522
Giardia lamblia Cathepsin B precursor 0.0347 0.1167 0.2743
Entamoeba histolytica cysteine proteinase, putative 0.0835 0.2934 0.5278
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0835 0.2934 0.5278
Entamoeba histolytica cysteine proteinase, putative 0.1549 0.5527 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0347 0.1167 0.2094
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0036 0.0036
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0036 0.0492
Brugia malayi fibroinase precursor 0.0347 0.1167 0.1167
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0347 0.1167 0.2094
Loa Loa (eye worm) hypothetical protein 0.1062 0.3759 0.3759
Echinococcus granulosus calpain A 0.0056 0.0111 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0347 0.1167 0.2059
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1194 0.4238 0.4231
Loa Loa (eye worm) ctsf protein 0.1549 0.5527 0.5527
Plasmodium vivax vivapain-3 0.0835 0.2934 0.5299
Plasmodium vivax vivapain-1 0.0835 0.2934 0.5299
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Onchocerca volvulus Cathepsin L homolog 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Trypanosoma cruzi cysteine peptidase, putative 0.0835 0.2934 0.2909
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0347 0.1167 0.2059
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0347 0.1167 0.2059
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Plasmodium falciparum cysteine proteinase falcipain 3 0.1549 0.5527 1
Trypanosoma cruzi cysteine peptidase, putative 0.1549 0.5527 0.5511
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0347 0.1167 0.2059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Echinococcus granulosus cathepsin b 0.2782 1 1
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Echinococcus multilocularis cathepsin b 0.2782 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0036 0.0492
Echinococcus multilocularis cathepsin L 0.0347 0.1167 0.1156
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0347 0.1167 0.1167
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0347 0.1167 0.1914
Brugia malayi Pre-SET motif family protein 0.0202 0.064 0.064
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0036 0.0028
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0347 0.1167 0.2094
Toxoplasma gondii cathepsin CPC2 0.0347 0.1167 0.2094
Echinococcus multilocularis cathepsin L cysteine protease 0.1549 0.5527 0.5522
Loa Loa (eye worm) hypothetical protein 0.0048 0.008 0.008
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0347 0.1167 0.2059
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2782 1 1
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Plasmodium falciparum serine repeat antigen 7 0.0347 0.1167 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0835 0.2934 0.5278
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Echinococcus granulosus cathepsin L 0.0347 0.1167 0.116
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.1167 0.1156
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0051 0.0051
Entamoeba histolytica cysteine proteinase, putative 0.1549 0.5527 1
Giardia lamblia Hypothetical protein 0.0347 0.1167 0.2743
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.1167 0.1156
Plasmodium vivax vivapain-2 0.1549 0.5527 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0036 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Onchocerca volvulus Matrilysin homolog 0.0047 0.0077 0.0118
Plasmodium falciparum serine repeat antigen 3 0.0347 0.1167 0.1914
Echinococcus granulosus cathepsin b 0.2782 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1194 0.4238 0.4233
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Trypanosoma brucei prefoldin subunit, putative 0.0063 0.0134 0.0178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0036 0.0036
Toxoplasma gondii cathepsin CPL 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0036 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0347 0.1167 0.1156
Trypanosoma cruzi cysteine peptidase, putative 0.1549 0.5527 0.5511
Plasmodium falciparum serine repeat antigen 2 0.0347 0.1167 0.1914
Plasmodium vivax unspecified product 0.0347 0.1167 0.2094
Plasmodium falciparum serine repeat antigen 4 0.0347 0.1167 0.1914
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Plasmodium vivax serine-repeat antigen (SERA) 0.0347 0.1167 0.2094
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1549 0.5527 0.5527
Entamoeba histolytica cysteine proteinase, putative 0.0835 0.2934 0.5278
Plasmodium falciparum serine repeat antigen 5 0.0347 0.1167 0.1914
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Mycobacterium tuberculosis Conserved protein 0.0036 0.0036 0.0492
Mycobacterium ulcerans beta-lactamase 0.0036 0.0036 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.1167 0.2059
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0347 0.1167 0.1914
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1549 0.5527 0.5527
Plasmodium vivax prefoldin subunit 6, putative 0.0063 0.0134 0.0222
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0347 0.1167 0.2059
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Trichomonas vaginalis conserved hypothetical protein 0.0347 0.1167 0.2059
Schistosoma mansoni cathepsin F (C01 family) 0.1062 0.3759 0.3752
Onchocerca volvulus 0.0036 0.0036 0.0044
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Trypanosoma cruzi cysteine proteinase, putative 0.0835 0.2934 0.2909
Brugia malayi KE2 family protein 0.0063 0.0134 0.0134
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0487 0.1674 0.1674
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0347 0.1167 0.2094
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.0111 0.01
Onchocerca volvulus 0.0347 0.1167 0.2094
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Onchocerca volvulus 0.1549 0.5527 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1549 0.5527 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0054 0.0102 0.0091
Echinococcus multilocularis geminin 0.0175 0.0542 0.0531
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0036 0.0024
Trypanosoma cruzi major cysteine proteinase, putative 0.0347 0.1167 0.1134
Loa Loa (eye worm) hypothetical protein 0.0487 0.1674 0.1674
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0347 0.1167 0.2094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0347 0.1167 0.2094
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0347 0.1167 0.2094
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1549 0.5527 0.5522
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2782 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Brugia malayi Cathepsin L-like precursor 0.1062 0.3759 0.3759
Trypanosoma cruzi major cysteine proteinase, putative 0.0347 0.1167 0.1134
Brugia malayi beta-lactamase family protein 0.0036 0.0036 0.0036
Plasmodium vivax serine-repeat antigen (SERA) 0.0347 0.1167 0.2094
Schistosoma mansoni cathepsin s 0.0487 0.1674 0.1665
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Trypanosoma cruzi cruzipain precursor, putative 0.0487 0.1674 0.1644
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Brugia malayi cathepsin Z-like cysteine proteinase 0.0347 0.1167 0.1167
Brugia malayi cathepsin L-like precursor 0.1062 0.3759 0.3759
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0347 0.1167 0.2059
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0347 0.1167 0.2743
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Trypanosoma brucei cysteine peptidase C (CPC) 0.11 0.3899 0.7034
Entamoeba histolytica cysteine proteinase 2 0.0835 0.2934 0.5278
Echinococcus multilocularis cathepsin L 0.0835 0.2934 0.2926
Loa Loa (eye worm) hypothetical protein 0.0034 0.0028 0.0028
Onchocerca volvulus 0.1549 0.5527 1
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Onchocerca volvulus 0.1549 0.5527 1
Trypanosoma cruzi cysteine peptidase, putative 0.1549 0.5527 0.5511
Schistosoma mansoni hypothetical protein 0.0175 0.0542 0.0531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0835 0.2934 0.5278
Brugia malayi Papain family cysteine protease containing protein 0.0347 0.1167 0.1167
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.11 0.3899 0.3891
Plasmodium falciparum serine repeat antigen 6 0.0347 0.1167 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0036 0.0028
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.11 0.3899 0.7034
Brugia malayi cathepsin F-like cysteine proteinase 0.0487 0.1674 0.1674
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Plasmodium vivax unspecified product 0.0835 0.2934 0.5299
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0134 0.0178
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0347 0.1167 0.2094
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0077 0.0186 0.0174
Leishmania major cysteine peptidase A (CPA) 0.1549 0.5527 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0835 0.2934 0.5278
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0036 0.0492
Echinococcus granulosus cysteine protease 0.0835 0.2934 0.2929
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0347 0.1167 0.2059
Mycobacterium tuberculosis Conserved protein 0.0036 0.0036 0.0492
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Giardia lamblia Cysteine protease 0.0347 0.1167 0.2743
Giardia lamblia Cathepsin B precursor 0.11 0.3899 1
Onchocerca volvulus 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1549 0.5527 1
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Echinococcus granulosus cathepsin l1 0.1062 0.3759 0.3754
Brugia malayi Papain family cysteine protease containing protein 0.0347 0.1167 0.1167
Giardia lamblia Cathepsin B precursor 0.11 0.3899 1
Onchocerca volvulus Cathepsin F homolog 0.1549 0.5527 1
Brugia malayi Matrixin family protein 0.0051 0.0092 0.0092
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.1167 0.1156
Entamoeba histolytica hypothetical protein 0.0347 0.1167 0.2059
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0347 0.1167 0.1167
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2782 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Trypanosoma cruzi cysteine peptidase, putative 0.0487 0.1674 0.1644
Brugia malayi cathepsin Z-like cysteine proteinase 0.0347 0.1167 0.1167
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.0735 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0077 0.0186 0.0178
Loa Loa (eye worm) hypothetical protein 0.0347 0.1167 0.1167
Schistosoma mansoni cathepsin F (C01 family) 0.1549 0.5527 0.5522
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0347 0.1167 0.2059
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Loa Loa (eye worm) fibroinase 0.1549 0.5527 0.5527
Echinococcus granulosus cathepsin l cysteine peptidase 0.1549 0.5527 0.5524
Loa Loa (eye worm) matrixin family protein 0.0047 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.1549 0.5527 0.5527
Giardia lamblia Cathepsin B precursor 0.0347 0.1167 0.2743
Toxoplasma gondii cathepsin B 0.11 0.3899 0.7047
Onchocerca volvulus 0.023 0.0741 0.1322
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.1167 0.1156
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0347 0.1167 0.2094
Onchocerca volvulus 0.1549 0.5527 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0347 0.1167 0.2094
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Entamoeba histolytica cysteine protease, putative 0.0347 0.1167 0.2059
Entamoeba histolytica cysteine proteinase, putative 0.0835 0.2934 0.5278
Schistosoma mansoni hypothetical protein 0.0036 0.0036 0.0024
Loa Loa (eye worm) calpain family protein 1 0.004 0.0051 0.0051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0111 0.01
Plasmodium falciparum serine repeat antigen 9 0.0347 0.1167 0.1914
Schistosoma mansoni cathepsin C 0.0347 0.1167 0.1156
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.2769 0.2761
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0036 1
Loa Loa (eye worm) hypothetical protein 0.2782 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0347 0.1167 0.1156
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0036 0.0492
Brugia malayi beta-lactamase 0.0036 0.0036 0.0036
Echinococcus multilocularis calpain family protein 1, d 0.004 0.0051 0.0039
Loa Loa (eye worm) hypothetical protein 0.1062 0.3759 0.3759
Giardia lamblia Cathepsin L-like protease 0.0347 0.1167 0.2743
Echinococcus multilocularis cysteine protease 0.1549 0.5527 0.5522
Echinococcus granulosus geminin 0.0175 0.0542 0.0534
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0036 0.0492
Echinococcus granulosus cathepsin L 0.0835 0.2934 0.2929
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0347 0.1167 0.1156
Trichomonas vaginalis set domain proteins, putative 0.023 0.0741 0.1283
Onchocerca volvulus 0.1549 0.5527 1
Giardia lamblia Cathepsin B precursor 0.0347 0.1167 0.2743
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1549 0.5527 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0111 0.01
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0056 0.0111 0.0103
Schistosoma mansoni hypothetical protein 0.0063 0.0134 0.0123
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.2934 0.2926
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Giardia lamblia Cysteine protease 0.0347 0.1167 0.2743
Onchocerca volvulus 0.1549 0.5527 1
Echinococcus granulosus prefoldin subunit 6 0.0063 0.0134 0.0126
Schistosoma mansoni cathepsin B (C01 family) 0.0347 0.1167 0.1156
Brugia malayi hypothetical protein 0.0036 0.0036 0.0036
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0347 0.1167 0.2743
Loa Loa (eye worm) calpain family protein 1 0.0054 0.0102 0.0102
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Giardia lamblia Cathepsin L-like protease 0.0347 0.1167 0.2743
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.2934 0.2926
Brugia malayi Cathepsin L-like cysteine proteinase 0.1062 0.3759 0.3759
Onchocerca volvulus 0.1062 0.3759 0.6795
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0347 0.1167 0.1167
Giardia lamblia Cysteine protease 0.0347 0.1167 0.2743
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0036 0.0492
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Onchocerca volvulus 0.0036 0.0036 0.0044
Giardia lamblia Cathepsin L precursor 0.0347 0.1167 0.2743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Echinococcus granulosus cathepsin l1 0.1549 0.5527 0.5524
Trypanosoma cruzi cysteine proteinase, putative 0.0835 0.2934 0.2909
Mycobacterium ulcerans hypothetical protein 0.0036 0.0036 1
Brugia malayi Papain family cysteine protease containing protein 0.0835 0.2934 0.2934
Schistosoma mansoni hypothetical protein 0.003 0.0015 0.0004
Mycobacterium leprae Probable lipase LipE 0.0036 0.0036 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0036 0.0492
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0036 0.0025
Loa Loa (eye worm) hypothetical protein 0.0487 0.1674 0.1674
Plasmodium falciparum cysteine proteinase falcipain 1 0.0835 0.2934 0.5192
Toxoplasma gondii preprocathepsin c precursor, putative 0.0347 0.1167 0.2094
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0347 0.1167 0.1914
Plasmodium vivax vivapain-2 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0347 0.1167 0.2743
Trypanosoma cruzi cruzipain precursor, putative 0.1549 0.5527 0.5511
Giardia lamblia Encystation-specific protease 0.0347 0.1167 0.2743
Entamoeba histolytica prefoldin subunit 6, putative 0.0063 0.0134 0.0178
Brugia malayi Hemopexin family protein 0.003 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0487 0.1674 0.1674
Leishmania major cathepsin L-like protease 0.1549 0.5527 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0347 0.1167 0.2743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0835 0.2934 0.2926
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0036
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0347 0.1167 0.1167
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0347 0.1167 0.1167
Toxoplasma gondii ABC1 family protein 0.0036 0.0036 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.1167 0.2059
Leishmania major prefoldin subunit, putative 0.0063 0.0134 0.0178
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Loa Loa (eye worm) hypothetical protein 0.1062 0.3759 0.3759
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1549 0.5527 0.5522
Onchocerca volvulus Cathepsin L homolog 0.1549 0.5527 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0012 0.0012
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Entamoeba histolytica cysteine protease, putative 0.1549 0.5527 1
Loa Loa (eye worm) matrixin family protein 0.0051 0.0092 0.0092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Giardia lamblia Cathepsin B precursor 0.0347 0.1167 0.2743
Giardia lamblia Cysteine protease 0.0347 0.1167 0.2743
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0036 0.0025
Brugia malayi Cathepsin L-like precursor 0.1549 0.5527 0.5527
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2782 1 1
Brugia malayi cathepsin L precursor 0.0347 0.1167 0.1167
Onchocerca volvulus Matrix metalloproteinase homolog 0.0047 0.0077 0.0118
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0835 0.2934 0.5278
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1549 0.5527 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1549 0.5527 1
Giardia lamblia Cathepsin B precursor 0.11 0.3899 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0054 0.0102 0.0102
Trypanosoma cruzi prefoldin subunit, putative 0.0063 0.0134 0.0098
Schistosoma mansoni cathepsin S (C01 family) 0.0347 0.1167 0.1156
Entamoeba histolytica cysteine protease, putative 0.0835 0.2934 0.5278
Echinococcus multilocularis calpain A 0.0056 0.0111 0.01
Echinococcus granulosus cathepsin L cysteine protease 0.0835 0.2934 0.2929
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1549 0.5527 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.1167 0.2059
Brugia malayi calpain family protein 1 0.0054 0.0102 0.0102
Echinococcus multilocularis cathepsin L cysteine protease 0.1549 0.5527 0.5522
Loa Loa (eye worm) cysteine protease 0.1549 0.5527 0.5527

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in L1 stage Caenorhabditis elegans N2 assessed as viability and reproduction at 50 uM ChEMBL. 24273638
Activity (ADMET) Toxicity in L1 stage Caenorhabditis elegans N2 assessed as viability and reproduction at 10 uM ChEMBL. 24273638
IC50 (functional) = 13.8 uM Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT assay ChEMBL. 24273638
IC50 (functional) = 35 uM Antimigratory activity in human MDA-MB-231 cells after 24 hrs by wound healing assay ChEMBL. 24273638

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24273638

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

No literature references available for this target.

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