Detailed information for compound 1369383

Basic information

Technical information
  • TDR Targets ID: 1369383
  • Name: 4-(2-methylpropanoylamino)-N-(2-oxothiolan-3- yl)benzamide
  • MW: 306.38 | Formula: C15H18N2O3S
  • H donors: 2 H acceptors: 3 LogP: 2.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)Nc1ccc(cc1)C(=O)NC1CCSC1=O
  • InChi: 1S/C15H18N2O3S/c1-9(2)13(18)16-11-5-3-10(4-6-11)14(19)17-12-7-8-21-15(12)20/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)(H,17,19)
  • InChiKey: WKPMYDWYOCEELG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-methylpropanoylamino)-N-(2-oxotetrahydrothiophen-3-yl)benzamide
  • 4-[(2-methyl-1-oxopropyl)amino]-N-(2-oxo-3-tetrahydrothiophenyl)benzamide
  • 4-(isobutyrylamino)-N-(2-ketotetrahydrothiophen-3-yl)benzamide
  • BAS 09533130
  • 4-Isobutyrylamino-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide
  • MLS000030203
  • SMR000015087
  • STK159039

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0041 0.0578 0.3638
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0096 0.28 1
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Entamoeba histolytica calpain large subunit domain III containing protein 0.0028 0.0057 0.0982
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1165 0.1165
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.1763
Plasmodium vivax vivapain-2 0.0041 0.0578 1
Schistosoma mansoni calpain (C02 family) 0.004 0.054 0.054
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.003 0.0154 0.0154
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Loa Loa (eye worm) ctsf protein 0.0041 0.0578 0.0578
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1733 0.1733
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.004 0.054 0.1763
Trypanosoma cruzi cysteine peptidase, putative 0.0041 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Trypanosoma cruzi cysteine peptidase, putative 0.003 0.0154 0.0154
Echinococcus multilocularis cathepsin b 0.0274 1 1
Giardia lamblia Cathepsin B precursor 0.0096 0.28 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.004 0.054 0.054
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0041 0.0578 0.0578
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.003 0.0154 0.0154
Loa Loa (eye worm) fibroinase 0.0041 0.0578 0.0578
Onchocerca volvulus Cathepsin L homolog 0.0041 0.0578 0.3638
Trypanosoma cruzi cysteine proteinase, putative 0.003 0.0154 0.0154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.003 0.0154 0.055
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus multilocularis calpain 7 (C02 family) 0.004 0.054 0.0392
Trypanosoma cruzi cysteine peptidase, putative 0.0041 0.0578 0.0578
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1733 0.1733
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.011 0.3389 0.3389
Echinococcus multilocularis cathepsin L cysteine protease 0.0041 0.0578 0.043
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.011 0.3389 0.3389
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0096 0.28 0.28
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0041 0.0578 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Schistosoma mansoni Mername-AA248 (C02 family) 0.004 0.054 0.054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Echinococcus granulosus cathepsin L cysteine protease 0.003 0.0154 0.0154
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Entamoeba histolytica cysteine proteinase, putative 0.003 0.0154 0.2667
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Echinococcus granulosus calpain A 0.011 0.3389 0.3389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.003 0.0154 0.0355
Echinococcus granulosus cysteine protease 0.003 0.0154 0.0154
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Entamoeba histolytica cysteine proteinase, putative 0.003 0.0154 0.2667
Loa Loa (eye worm) hypothetical protein 0.0093 0.2712 0.2712
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.1763
Entamoeba histolytica cysteine proteinase, putative 0.003 0.0154 0.2667
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Giardia lamblia Cathepsin B precursor 0.0096 0.28 0.5
Entamoeba histolytica protein kinase, putative 0.0028 0.0057 0.0982
Brugia malayi calpain family protein 1 0.0105 0.3196 0.3196
Brugia malayi calpain family protein 1 0.0105 0.3196 0.3196
Schistosoma mansoni calpain-7 (C02 family) 0.004 0.054 0.054
Onchocerca volvulus 0.0041 0.0578 0.3638
Toxoplasma gondii cathepsin B 0.0096 0.28 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1733 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.0578 0.0578
Echinococcus multilocularis calpain 5 0.004 0.054 0.0392
Onchocerca volvulus 0.0041 0.0578 0.3638
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1733 0.1604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Loa Loa (eye worm) hypothetical protein 0.0105 0.3196 0.3196
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0041 0.0578 0.2062
Loa Loa (eye worm) hypothetical protein 0.0274 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1733 0.1733
Trypanosoma cruzi cysteine proteinase, putative 0.003 0.0154 0.0154
Onchocerca volvulus 0.0066 0.1587 1
Echinococcus multilocularis calpain A 0.011 0.3389 0.3286
Onchocerca volvulus Cathepsin F homolog 0.0041 0.0578 0.3638
Loa Loa (eye worm) cysteine protease 0.0041 0.0578 0.0578
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Entamoeba histolytica cysteine proteinase 1, putative 0.003 0.0154 0.2667
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1165 0.1027
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1733 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1165 0.1165
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Trypanosoma cruzi cysteine peptidase, putative 0.0041 0.0578 0.0578
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.003 0.0154 0.0154
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.004 0.054 0.054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Loa Loa (eye worm) calpain 0.004 0.054 0.054
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.1763
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1165 0.1165
Entamoeba histolytica cysteine proteinase, putative 0.003 0.0154 0.2667
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0274 1 1
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0096 0.28 0.28
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.004 0.054 0.054
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1165 0.1165
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0274 1 1
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 1 1
Echinococcus granulosus cathepsin l1 0.0041 0.0578 0.0578
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.011 0.3389 0.3389
Echinococcus multilocularis cysteine protease 0.0041 0.0578 0.043
Trypanosoma cruzi kinesin, putative 0.0028 0.0057 0.0057
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.003 0.0154 0.0355
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 1 1
Echinococcus granulosus cathepsin L 0.003 0.0154 0.0154
Onchocerca volvulus 0.0041 0.0578 0.3638
Echinococcus granulosus calpain 5 0.004 0.054 0.054
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.0578 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.004 0.054 0.054
Loa Loa (eye worm) calpain 5 0.0028 0.0057 0.0057
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Loa Loa (eye worm) calpain family protein 1 0.0105 0.3196 0.3196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.054
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.054
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Onchocerca volvulus 0.0041 0.0578 0.3638
Brugia malayi calpain 5 0.0028 0.0057 0.0057
Trypanosoma cruzi cruzipain precursor, putative 0.0041 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Loa Loa (eye worm) calpain family protein 1 0.0078 0.2071 0.2071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus granulosus cathepsin L cysteine proteinase 0.0041 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0041 0.0578 0.2062
Trypanosoma brucei calpain-like protein, putative 0.004 0.054 0.1763
Giardia lamblia Cathepsin B precursor 0.0096 0.28 0.5
Echinococcus granulosus calpain 7 C02 family 0.004 0.054 0.054
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1544 0.1544
Plasmodium vivax vivapain-2 0.0041 0.0578 1
Loa Loa (eye worm) cathepsin B 0.0096 0.28 0.28
Loa Loa (eye worm) hypothetical protein 0.0078 0.2071 0.2071
Trypanosoma brucei calpain-like protein, putative 0.004 0.054 0.1763
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1733 0.611
Brugia malayi Papain family cysteine protease containing protein 0.003 0.0154 0.0154
Echinococcus granulosus calpain A 0.004 0.054 0.054
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.011 0.3389 0.3286
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1733 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1165 0.1027
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Trypanosoma cruzi kinesin, putative 0.0028 0.0057 0.0057
Trypanosoma cruzi cysteine protease, putative 0.003 0.0154 0.0154
Schistosoma mansoni calpain C (C02 family) 0.004 0.054 0.054
Onchocerca volvulus Cathepsin L homolog 0.0041 0.0578 0.3638
Loa Loa (eye worm) hypothetical protein 0.0041 0.0578 0.0578
Echinococcus multilocularis cathepsin b 0.0274 1 1
Echinococcus granulosus cathepsin b 0.0274 1 1
Onchocerca volvulus 0.0041 0.0578 0.3638
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Leishmania major cysteine peptidase A (CPA) 0.0041 0.0578 0.1898
Trypanosoma cruzi cysteine peptidase, putative 0.0041 0.0578 0.0578
Trypanosoma brucei calpain-like protein, putative 0.004 0.054 0.1763
Schistosoma mansoni calpain-7 (C02 family) 0.004 0.054 0.054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1165 0.1165
Echinococcus multilocularis cathepsin L cysteine protease 0.0041 0.0578 0.043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Brugia malayi Papain family cysteine protease containing protein 0.0041 0.0578 0.0578
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0105 0.3196 0.3196
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Echinococcus granulosus calpain 0.004 0.054 0.054
Entamoeba histolytica cysteine protease, putative 0.003 0.0154 0.2667
Entamoeba histolytica cysteine protease, putative 0.0041 0.0578 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0041 0.0578 0.043
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.003 0.0154 0.0154
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0041 0.0578 1
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus multilocularis calpain 0.004 0.054 0.0392
Plasmodium falciparum cysteine proteinase falcipain 3 0.0041 0.0578 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Brugia malayi calpain 7 0.004 0.054 0.054
Echinococcus multilocularis cysteine protease 0.0041 0.0578 0.043
Plasmodium vivax calpain, putative 0.004 0.054 0.912
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0041 0.0578 0.0578
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0041 0.0578 0.043
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.004 0.054 0.1763
Echinococcus granulosus cathepsin l cysteine peptidase 0.0041 0.0578 0.0578
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Loa Loa (eye worm) hypothetical protein 0.0066 0.1587 0.1587
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0041 0.0578 0.1898
Leishmania major cathepsin L-like protease 0.0041 0.0578 0.1898
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.0578 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.0578 0.2062
Echinococcus multilocularis calpain family protein 1, d 0.0078 0.2071 0.1947
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.004 0.054 0.054
Onchocerca volvulus 0.0041 0.0578 0.3638
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Trypanosoma brucei calpain-like protein, putative 0.004 0.054 0.1763
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.003 0.0154 0.055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0578 0.2062
Trypanosoma brucei cysteine peptidase C (CPC) 0.0096 0.28 1
Trypanosoma brucei antigen, putative 0.004 0.054 0.1763
Echinococcus granulosus cathepsin b 0.0274 1 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.004 0.054 0.054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1165 0.1165
Echinococcus multilocularis hypothetical protein 0.004 0.054 0.0392
Brugia malayi Papain family cysteine protease containing protein 0.003 0.0154 0.0154
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0096 0.28 1
Entamoeba histolytica cysteine proteinase 2 0.003 0.0154 0.2667
Brugia malayi Cathepsin L-like precursor 0.0041 0.0578 0.0578
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1165 0.1165

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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