Detailed information for compound 1287284

Basic information

Technical information
  • TDR Targets ID: 1287284
  • Name: (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4 ,5-tetrahydroxypentanoic acid
  • MW: 299.3 | Formula: C12H13NO6S
  • H donors: 5 H acceptors: 7 LogP: -0.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]([C@H]([C@H]([C@H](c1nc2c(s1)cccc2)O)O)O)O
  • InChi: 1S/C12H13NO6S/c14-7(8(15)10(17)12(18)19)9(16)11-13-5-3-1-2-4-6(5)20-11/h1-4,7-10,14-17H,(H,18,19)/t7-,8+,9-,10+/m1/s1
  • InChiKey: IHLGCRTYBDAHIA-RGOKHQFPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-pentanoic acid
  • (2S,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-valeric acid
  • NCGC00013553
  • NSC-45741
  • NCIStruc2_001567
  • NCIStruc1_000998
  • NCI45741

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 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
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA 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
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 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
Echinococcus multilocularis 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chromobox protein 0.0075 0.0226 0.0226
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0854 0.3457 0.3747
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Brugia malayi chromobox protein homolog 3 0.0042 0.0089 0.1218
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0182 0.2489
Schistosoma mansoni single-minded 0.0059 0.0158 0.0158
Leishmania major cysteine peptidase A (CPA) 0.0022 0.0004 0.011
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0004 0.0004
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Echinococcus granulosus single minded 2 0.0043 0.0094 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0102 0.018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0158 0.0158
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Loa Loa (eye worm) hypothetical protein 0.0042 0.0089 0.1218
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0089 0.1445
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0001 0.0001
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0001 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) fibroinase 0.0022 0.0004 0.0059
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0102 0.018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0001 0.0001
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0001 0.0008
Toxoplasma gondii cathepsin CPC1 0.2244 0.9224 0.9224
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0115 0.1568
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0338 0.4612
Echinococcus granulosus cathepsin l1 0.0022 0.0004 0.0004
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0004 0.0004
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0094 0.1291
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0854 0.3457 0.3745
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0221 0.0221
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.2244 0.9224 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0338 0.0338
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Echinococcus granulosus chromobox protein 1 0.0075 0.0226 0.0226
Echinococcus granulosus chromobox protein 1 0.0075 0.0226 0.0226
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0055 0.1618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0854 0.3457 0.3745
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0221 0.0221
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0001 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Brugia malayi hypothetical protein 0.0197 0.0732 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.0004 0.0059
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0004 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0001 0.0019
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0001 0.0019
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.0004 0.0004
Onchocerca volvulus 0.0033 0.0051 0.0801
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.0221 0.6537
Echinococcus granulosus dna polymerase eta 0.0048 0.0115 0.0115
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Entamoeba histolytica cysteine protease, putative 0.0022 0.0004 0.0127
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0055 0.0051
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Loa Loa (eye worm) cysteine protease 0.0022 0.0004 0.0059
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Brugia malayi hypothetical protein 0.0163 0.0591 0.8083
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0115 0.3389
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.2244 0.9224 0.9224
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0226 0.0397
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0001 0.0001
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0001 0.0001
Leishmania major DNA polymerase eta, putative 0.0034 0.0055 0.1618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0119 0.0119
Trypanosoma brucei polo-like protein kinase 0.0102 0.0338 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0119 0.1628
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0124 0.0217
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Giardia lamblia Encystation-specific protease 0.0854 0.3457 0.3747
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0226 0.3094
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0338 0.0338
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Toxoplasma gondii cathepsin CPC2 0.0854 0.3457 0.3454
Leishmania major DNA polymerase eta, putative 0.0048 0.0115 0.3389
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni chromobox protein 0.0075 0.0226 0.0226
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0001 0.0001
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0094 0.0094
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.0004 0.011
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0115 0.3389
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0338 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.2244 0.9224 0.9224
Loa Loa (eye worm) hypothetical protein 0.0048 0.0115 0.1568
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0119 0.1628
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0004 0.0004
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0089 0.0156
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0001 0.0008
Brugia malayi Heterochromatin protein 1 0.0075 0.0226 0.3094
Schistosoma mansoni DNA polymerase eta 0.0048 0.0115 0.0115
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.0221 0.0221
Echinococcus granulosus expressed protein 0.0403 0.1587 0.1587
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1394 0.5698 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0226 0.0397
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Onchocerca volvulus 0.0043 0.0094 0.1536
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0102 0.1671
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0338 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0038 0.0067
Brugia malayi hypoxia-induced factor 1 0.0182 0.0668 0.9134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0001 0.0001
Schistosoma mansoni kinase 0.0052 0.0129 0.0129
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.0004 0.0059
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0001 0.0019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis cysteine protease 0.0022 0.0004 0.0004
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0338 0.4612
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis expressed protein 0.0403 0.1587 0.1587
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0004 0.0127
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0119 0.0119
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0094 0.4262
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0158 0.2165
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0001 0.0001
Loa Loa (eye worm) ctsf protein 0.0022 0.0004 0.0059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Brugia malayi PAS domain containing protein 0.0059 0.0158 0.2156
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0668 0.9134
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0338 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0124 0.0217
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Loa Loa (eye worm) hypothetical protein 0.0022 0.0004 0.0059
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Loa Loa (eye worm) hypothetical protein 0.0163 0.0591 0.8083
Brugia malayi Cytochrome P450 family protein 0.0059 0.0158 0.2165
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0038 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0001 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0089 0.0156
Loa Loa (eye worm) hypothetical protein 0.0197 0.0732 1
Giardia lamblia Kinase, PLK 0.0102 0.0338 0.0365
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0338 0.0338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Echinococcus multilocularis dna polymerase eta 0.0048 0.0115 0.0115
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0004 0.0008
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.2244 0.9224 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0338 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.2244 0.9224 1
Echinococcus multilocularis chromobox protein 1 0.0075 0.0226 0.0226
Giardia lamblia Dipeptidyl-peptidase I precursor 0.2244 0.9224 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.2244 0.9224 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis chromobox protein 1 0.0075 0.0226 0.0226
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0854 0.3457 0.3747
Echinococcus granulosus dna polymerase kappa 0.0021 0.0001 0.0001
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0004 0.0004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0119 0.0119
Echinococcus multilocularis cysteine protease 0.0022 0.0004 0.0004
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.0221 0.3018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.0004 0.0059
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0338 0.5675
Onchocerca volvulus 0.0163 0.0591 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0051 0.0701

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.