Detailed information for compound 827338

Basic information

Technical information
  • TDR Targets ID: 827338
  • Name: 3-[(2-methoxyacetyl)amino]-N-(2-methoxyphenyl )-1-benzofuran-2-carboxamide
  • MW: 354.357 | Formula: C19H18N2O5
  • H donors: 2 H acceptors: 2 LogP: 3.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1OC
  • InChi: 1S/C19H18N2O5/c1-24-11-16(22)21-17-12-7-3-5-9-14(12)26-18(17)19(23)20-13-8-4-6-10-15(13)25-2/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)
  • InChiKey: QZGJCCQPKUEQHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2-methoxyacetyl)amino]-N-(2-methoxyphenyl)benzofuran-2-carboxamide
  • 3-[(2-methoxy-1-oxoethyl)amino]-N-(2-methoxyphenyl)-2-benzofurancarboxamide
  • 3-(2-methoxyethanoylamino)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
  • 3-[(methoxyacetyl)amino]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
  • MLS000092977
  • SMR000028613

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Toxoplasma gondii aurora kinase 0.0536 0.1171 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0043 0.0023 0.0033
Loa Loa (eye worm) hypothetical protein 0.0128 0.0221 0.0718
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0192 0.0369 0.6327
Loa Loa (eye worm) hypothetical protein 0.0497 0.108 0.3621
Loa Loa (eye worm) hypothetical protein 0.0187 0.0358 0.1183
Brugia malayi serine/threonine-protein kinase plk-2 0.1309 0.2968 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0097 0.0149 0.0149
Giardia lamblia Kinase, PLK 0.1309 0.2968 1
Echinococcus multilocularis Immunoglobulin 0.0183 0.0349 0.05
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.0119 0.0119
Echinococcus multilocularis neuroglian 0.0043 0.0023 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0536 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0192 0.0369 0.537
Loa Loa (eye worm) hypothetical protein 0.0202 0.0394 0.1303
Loa Loa (eye worm) hypothetical protein 0.0183 0.035 0.1155
Schistosoma mansoni nephrin 0.0207 0.0405 0.0405
Brugia malayi Cytochrome P450 family protein 0.032 0.0667 0.2225
Echinococcus granulosus neuroglian 0.0204 0.0397 0.0556
Brugia malayi Cytochrome P450 family protein 0.0748 0.1664 0.5596
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0497 0.108 0.108
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0183 0.0349 0.0349
Brugia malayi serine/threonine protein kinase 6 0.0536 0.1171 0.393
Schistosoma mansoni tyrosine kinase 0.0058 0.0058 0.0058
Echinococcus multilocularis 0.0192 0.0369 0.0529
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Brugia malayi Prion-like- 0.0039 0.0015 0.0022
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0043 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0187 0.0358 0.1183
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3035 0.6985 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Loa Loa (eye worm) AUR protein kinase 0.0536 0.1171 0.393
Echinococcus multilocularis sodium and chloride dependent glycine 0.0084 0.0119 0.0171
Trypanosoma cruzi cytochrome P450, putative 0.032 0.0667 0.2182
Loa Loa (eye worm) beta-lactamase 0.0043 0.0024 0.0055
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0084 0.0119 0.5
Schistosoma mansoni titin 0.0039 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1309 0.2968 0.4249
Loa Loa (eye worm) CYP4Cod1 0.032 0.0667 0.2225
Brugia malayi Fibronectin type III domain containing protein 0.0187 0.0358 0.1183
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0084 0.0119 0.0171
Brugia malayi Immunoglobulin I-set domain containing protein 0.0187 0.0358 0.1183
Loa Loa (eye worm) hypothetical protein 0.0183 0.0349 0.1154
Schistosoma mansoni protein kinase 0.0536 0.1171 0.1171
Toxoplasma gondii hypothetical protein 0.0084 0.0119 0.083
Plasmodium vivax amine transporter, putative 0.0084 0.0119 0.083
Echinococcus granulosus aurora kinase A 0.0536 0.1171 0.1666
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0192 0.0369 0.6327
Brugia malayi Peroxidasin 0.004 0.0015 0.0024
Trichomonas vaginalis AGC family protein kinase 0.0536 0.1171 0.3896
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0569 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0192 0.0369 0.6327
Schistosoma mansoni nephrin 0.0043 0.0023 0.0023
Trypanosoma brucei cytochrome P450, putative 0.032 0.0667 0.2182
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1309 0.2968 0.4242
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0039 0.0015 0.0022
Echinococcus granulosus serotonin transporter 0.0497 0.108 0.1535
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0084 0.0119 0.0171
Echinococcus granulosus roundabout 2 0.0226 0.045 0.0632
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0084 0.0119 0.0159
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0192 0.0369 0.537
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0536 0.1171 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1309 0.2968 1
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0119 0.083
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0024 0.0035
Leishmania major cytochrome p450-like protein 0.032 0.0667 0.2182
Echinococcus granulosus contactin 0.0043 0.0023 0.0021
Echinococcus granulosus roundabout 2 0.0043 0.0023 0.0021
Loa Loa (eye worm) hypothetical protein 0.0223 0.0441 0.1463
Schistosoma mansoni tyrosine kinase 0.0121 0.0204 0.0204
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0024 0.0055
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0192 0.0369 0.1172
Brugia malayi hypothetical protein 0.0187 0.0358 0.1183
Echinococcus multilocularis hemicentin 1 0.0039 0.0015 0.0021
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0121 0.0204 0.0292
Brugia malayi Cytochrome P450 family protein 0.032 0.0667 0.2225
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0192 0.0369 0.6327
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0121 0.0204 0.028
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0192 0.0369 0.6327
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0192 0.0369 0.537
Loa Loa (eye worm) hypothetical protein 0.0497 0.108 0.3621
Onchocerca volvulus 0.0084 0.0119 0.0375
Loa Loa (eye worm) AUR protein kinase 0.0536 0.1171 0.393
Brugia malayi Immunoglobulin I-set domain containing protein 0.0141 0.0251 0.0822
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0024 0.0024
Echinococcus multilocularis peroxidasin 0.004 0.0015 0.0022
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0039 0.0014 0.0021
Schistosoma mansoni roundabout 0.0039 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0043 0.0023 0.0033
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0192 0.0369 0.6327
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0192 0.0369 0.1172
Echinococcus granulosus Immunoglobulin 0.0183 0.0349 0.0489
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0192 0.0369 0.537
Schistosoma mansoni cell adhesion molecule 0.0043 0.0023 0.0023
Echinococcus granulosus tyrosine protein kinase otk 0.0039 0.0015 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0192 0.0369 0.537
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0024 0.0022
Echinococcus granulosus sodium and chloride dependent glycine 0.0084 0.0119 0.0159
Trypanosoma cruzi polo-like protein kinase, putative 0.1309 0.2968 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.0377
Loa Loa (eye worm) TK protein kinase 0.0141 0.0251 0.0822
Echinococcus multilocularis roundabout 2 0.0043 0.0023 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0084 0.0119 0.0377
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0084 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Brugia malayi serine/threonine kinase 12 0.0536 0.1171 0.393
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1083 0.2442 0.8225
Schistosoma mansoni cytochrome P450 0.0192 0.0369 0.0369
Onchocerca volvulus 0.0043 0.0024 0.0053
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.083
Onchocerca volvulus 0.0084 0.0119 0.0375
Onchocerca volvulus 0.0084 0.0119 0.0375
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0536 0.1171 0.1666
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0009 0.0009
Schistosoma mansoni vesicular amine transporter 0.0183 0.0349 0.0349
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0192 0.0369 0.6327
Leishmania major protein kinase, putative 0.0536 0.1171 0.3896
Echinococcus granulosus twitchin 0.0216 0.0426 0.0599
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Onchocerca volvulus 0.0043 0.0024 0.0053
Echinococcus multilocularis aurora kinase A 0.0536 0.1171 0.1677
Echinococcus multilocularis hemicentin 1 0.0039 0.0015 0.0021
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.0377
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.083
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0023 0.0052
Loa Loa (eye worm) serotonin transporter b 0.0497 0.108 0.3621
Echinococcus granulosus sodium and chloride dependent glycine 0.0084 0.0119 0.0159
Brugia malayi beta-lactamase 0.0043 0.0024 0.0055
Loa Loa (eye worm) solute carrier family 6 member 4 0.0497 0.108 0.3621
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0192 0.0369 0.537
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0192 0.0369 0.537
Echinococcus multilocularis serotonin transporter 0.0497 0.108 0.1546
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0192 0.0369 0.6327
Schistosoma mansoni neuroglian 0.0043 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.004 0.0015 0.0024
Echinococcus granulosus defective proboscis extension response 0.0183 0.0349 0.0489
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0192 0.0369 0.537
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0192 0.0369 0.537
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0192 0.0369 0.537
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0192 0.0369 0.537
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.0023 0.0052
Echinococcus multilocularis Immunoglobulin 0.0183 0.0349 0.05
Echinococcus granulosus hemicentin 1 0.0039 0.0015 0.0009
Loa Loa (eye worm) norepinephrine transporter 0.0497 0.108 0.3621
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0037 0.0009 0.0002
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0084 0.0119 0.0159
Toxoplasma gondii hypothetical protein 0.0084 0.0119 0.083
Loa Loa (eye worm) hypothetical protein 0.0497 0.108 0.3621
Trichomonas vaginalis AGC family protein kinase 0.0536 0.1171 0.3896
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0192 0.0369 0.6327
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0039 0.0015 0.0015
Echinococcus multilocularis roundabout 2 0.0043 0.0023 0.0033
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0497 0.108 0.3621
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3035 0.6985 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0192 0.0369 0.537
Echinococcus granulosus lachesin 0.0039 0.0015 0.0009
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0192 0.0369 0.1172
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0183 0.0349 0.0349
Brugia malayi Immunoglobulin I-set domain containing protein 0.1083 0.2442 0.8225
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0192 0.0369 0.6327
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0084 0.0119 0.0119
Echinococcus multilocularis sodium and chloride dependent glycine 0.0084 0.0119 0.0171
Trichomonas vaginalis AGC family protein kinase 0.0536 0.1171 0.3896
Loa Loa (eye worm) cytochrome P450 0.0192 0.0369 0.122
Loa Loa (eye worm) hypothetical protein 0.0187 0.0358 0.1183
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0183 0.0349 0.05
Brugia malayi hypothetical protein 0.0084 0.0119 0.0377
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0039 0.0015 0.002
Echinococcus multilocularis tyrosine protein kinase otk 0.0039 0.0015 0.0021
Schistosoma mansoni septate junction protein 0.0039 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0192 0.0369 0.0369
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0084 0.0119 0.0171
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0084 0.0119 0.0119
Schistosoma mansoni sodium-dependent amino acid transporter 0.0084 0.0119 0.0119
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0192 0.0369 0.6327
Mycobacterium leprae putative cytochrome p450 0.0192 0.0369 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0.0009 0.0002
Schistosoma mansoni sodium/chloride dependent transporter 0.0084 0.0119 0.0119
Onchocerca volvulus 0.0043 0.0024 0.0053
Echinococcus multilocularis neuroglian 0.0204 0.0397 0.0568
Loa Loa (eye worm) AUR protein kinase 0.0536 0.1171 0.393
Brugia malayi cytochrome P450 0.0192 0.0369 0.122
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0015 0.0022
Brugia malayi serine/threonine-protein kinase 6 0.0536 0.1171 0.393
Echinococcus granulosus neuroglian 0.0043 0.0023 0.0021
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0043 0.0023 0.0033
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.0377
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.0119 0.0119
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0192 0.0369 0.537
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.0377
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0536 0.1171 0.1677
Loa Loa (eye worm) hypothetical protein 0.0223 0.0441 0.1463
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0192 0.0369 0.6327
Trypanosoma cruzi aurora B kinase, putative 0.0536 0.1171 0.3896
Brugia malayi Cytochrome P450 family protein 0.0192 0.0369 0.122
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0192 0.0369 0.537
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0039 0.0015 0.0022
Loa Loa (eye worm) hypothetical protein 0.0327 0.0684 0.2285
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0084 0.0119 0.0159
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0497 0.108 0.108
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.0377
Schistosoma mansoni cell adhesion molecule 0.0039 0.0015 0.0015
Schistosoma mansoni titin 0.0037 0.0009 0.0009
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0084 0.0119 0.0159
Echinococcus granulosus cytochrome P450 2K1 0.0192 0.0369 0.0517
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0039 0.0014 0.0008
Trichomonas vaginalis AGC family protein kinase 0.0536 0.1171 0.3896
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0023 0.0052
Loa Loa (eye worm) cytochrome P450 family protein 0.032 0.0667 0.2225
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0192 0.0369 0.6327
Entamoeba histolytica serine/threonine protein kinase, putative 0.1309 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0043 0.0023 0.0021
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0192 0.0369 0.537
Leishmania major cytochrome p450-like protein 0.0192 0.0369 0.1172
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0192 0.0369 0.6327
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0192 0.0369 0.6327
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.032 0.0667 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0121 0.0204 0.028
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1309 0.2968 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0192 0.0369 0.537
Trypanosoma brucei aurora B kinase 0.0536 0.1171 0.3896
Loa Loa (eye worm) TK/ROR protein kinase 0.0039 0.0014 0.0021
Echinococcus granulosus peroxidasin 0.004 0.0015 0.0009
Schistosoma mansoni cell adhesion molecule 0.0043 0.0023 0.0023
Onchocerca volvulus Tyrosine kinase homolog 0.0901 0.2019 0.6795
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0192 0.0369 0.537
Trypanosoma cruzi cytochrome P450, putative 0.032 0.0667 0.2182
Brugia malayi protein unc-22 0.0037 0.0009 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0192 0.0369 0.6327
Loa Loa (eye worm) hypothetical protein 0.0084 0.0119 0.0377
Brugia malayi beta-lactamase family protein 0.0043 0.0024 0.0055
Onchocerca volvulus 0.0497 0.108 0.3619
Trypanosoma cruzi polo-like protein kinase, putative 0.1309 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0349 0.1154
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0192 0.0369 0.1172
Schistosoma mansoni serine/threonine protein kinase 0.1309 0.2968 0.2968
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0192 0.0369 0.6327
Treponema pallidum sodium- and chloride- dependent transporter 0.0497 0.108 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.032 0.0667 0.2225
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0022
Onchocerca volvulus 0.0862 0.1928 0.6487
Loa Loa (eye worm) cytochrome P450 family protein 0.0748 0.1664 0.5596
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0192 0.0369 0.6327
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0084 0.0119 0.083
Plasmodium falciparum serine/threonine protein kinase, putative 0.0536 0.1171 1
Echinococcus multilocularis roundabout 2 0.0226 0.045 0.0644
Onchocerca volvulus Serine\/threonine kinase homolog 0.1309 0.2968 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0192 0.0369 0.537
Loa Loa (eye worm) hypothetical protein 0.0043 0.0023 0.0052
Schistosoma mansoni cell adhesion molecule 0.0206 0.0402 0.0402
Trichomonas vaginalis CAMK family protein kinase 0.1309 0.2968 1
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0039 0.0015 0.0021
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0192 0.0369 0.1172
Echinococcus multilocularis titin 0.0037 0.0009 0.0012
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0043 0.0023 0.0033
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0023 0.0052
Loa Loa (eye worm) CAMK protein kinase 0.0037 0.0009 0.0002
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0192 0.0369 0.537
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0056 0.0053 0.0151
Toxoplasma gondii cytochrome p450 superfamily protein 0.0192 0.0369 0.3007
Brugia malayi hypothetical protein 0.0327 0.0684 0.2285
Mycobacterium leprae Conserved hypothetical protein 0.0192 0.0369 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0024 0.0055
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0192 0.0369 0.537
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0192 0.0369 0.6327
Brugia malayi beta-lactamase family protein 0.0043 0.0024 0.0055
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0202 0.0394 0.0552
Echinococcus multilocularis lachesin 0.0039 0.0015 0.0021
Leishmania major cytochrome p450-like protein 0.0192 0.0369 0.1172
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0192 0.0369 0.6327
Trypanosoma brucei polo-like protein kinase 0.1309 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0055
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0024 0.0024
Schistosoma mansoni septate junction protein 0.0039 0.0015 0.0015
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0121 0.0204 0.0292
Echinococcus granulosus roundabout 2 0.0043 0.0023 0.0021
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0084 0.0119 0.0119

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5221 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) = 1.122 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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