Detailed information for compound 797754

Basic information

Technical information
  • TDR Targets ID: 797754
  • Name: methyl 1-(3-methoxypropyl)-2-methyl-5-oxo-4-( thiophen-2-ylmethylidene)pyrrole-3-carboxylat e
  • MW: 321.391 | Formula: C16H19NO4S
  • H donors: 0 H acceptors: 2 LogP: 1.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCN1C(=O)/C(=C\c2cccs2)/C(=C1C)C(=O)OC
  • InChi: 1S/C16H19NO4S/c1-11-14(16(19)21-3)13(10-12-6-4-9-22-12)15(18)17(11)7-5-8-20-2/h4,6,9-10H,5,7-8H2,1-3H3/b13-10-
  • InChiKey: WFWHPVKLTOBKKL-RAXLEYEMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (4Z)-1-(3-methoxypropyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
  • methyl (4Z)-1-(3-methoxypropyl)-2-methyl-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate
  • methyl 1-(3-methoxypropyl)-2-methyl-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate
  • 1-(3-methoxypropyl)-2-methyl-5-oxo-4-(2-thienylmethylene)-3-pyrrolecarboxylic acid methyl ester
  • (4Z)-1-(3-methoxypropyl)-2-methyl-5-oxo-4-(2-thienylmethylene)-3-pyrrolecarboxylic acid methyl ester
  • (4Z)-5-keto-1-(3-methoxypropyl)-2-methyl-4-(2-thienylmethylene)-2-pyrroline-3-carboxylic acid methyl ester
  • 5-keto-1-(3-methoxypropyl)-2-methyl-4-(2-thienylmethylene)-2-pyrroline-3-carboxylic acid methyl ester
  • ZINC03623232
  • MLS000728795
  • SMR000307073
  • methyl (4Z)-1-(3-methoxypropyl)-2-methyl-5-oxo-4-(thien-2-ylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate
  • A2944/0123978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0056 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0454 0.0454
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0549 0.0549
Echinococcus multilocularis nuclear receptor nhr 48 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0056 0.0056
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0056 0.0056
Brugia malayi nuclear hormone receptor 0.0005 0.0003 0.0003
Brugia malayi hypothetical protein 0.0005 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0056 0.0056
Brugia malayi nuclear receptor NHR-88 0.001 0.0056 0.0056
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0003 0.0003
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0009 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0578 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0056 0.0056
Onchocerca volvulus 0.0005 0.0003 0.0003
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0128 0.0128
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi follicle stimulating hormone receptor 0.0252 0.2497 0.2497
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0056 0.0056
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0578 0.5
Brugia malayi ecdysone receptor 0.0005 0.0003 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0454 0.0454
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0056 0.0056
Brugia malayi conserved hypotetical protein 0.0005 0.0003 0.0003
Brugia malayi nuclear hormone receptor family member odr-7 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0056 0.0056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0017 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0056 0.0056
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Brugia malayi hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0128 0.0128
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0003 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0056 0.0056
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0056 0.0056
Echinococcus granulosus FTZ F1 alpha 0.001 0.0056 0.0056
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0056 0.0056
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0017 0.0128 0.0128
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0056 0.0056
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0578 0.0578
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0056 0.0056
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0056 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0454 0.0454
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0549 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0578 0.0578
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0005 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0037 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0054 0.0498 0.0498
Brugia malayi steroid hormone receptor 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Echinococcus granulosus GPCR family 2 0.0017 0.0128 0.0128
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0009 0.0009
Brugia malayi nuclear receptor RXR 0.0005 0.0009 0.0009
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0578 0.5
Brugia malayi hypothetical protein 0.0005 0.0009 0.0009
Echinococcus multilocularis vesicular acetylcholine transporter 0.0995 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0995 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0128 0.0128
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0056 0.0056
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0498 0.0498
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0454 0.0454
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi hypothetical protein 0.0005 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Echinococcus multilocularis GPCR, family 2 0.0017 0.0128 0.0128
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0056 0.0056
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0995 1 1
Onchocerca volvulus 0.0005 0.0003 0.0003
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Echinococcus granulosus neuropeptide s receptor 0.0499 0.4995 0.4995
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0056 0.0056
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0056 0.0056
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0005 0.0003 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0578 0.5
Onchocerca volvulus 0.001 0.0056 0.0056
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0056 0.0056
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0005 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0017 0.0128 0.0128
Brugia malayi ecdysteroid receptor 0.001 0.0056 0.0056
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0056 0.0056
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0005 0.0003 0.0003
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0005 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0056 0.0056
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0578 0.5
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Schistosoma mansoni nuclear receptor 0.0005 0.0003 0.0003
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0128 0.0128
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0056 0.0056
Schistosoma mansoni thyroid hormone receptor 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0327 0.0327
Loa Loa (eye worm) DR-78 0.0005 0.0003 0.0003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0003 0.0003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0454 0.0454
Echinococcus granulosus nuclear receptor nhr 48 0.0005 0.0003 0.0003
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0056 0.0056
Brugia malayi Cytochrome P450 family protein 0.0022 0.0178 0.0178
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0252 0.2497 0.2497
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0056 0.0056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0454 0.0454
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0549 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0499 0.4995 0.4995
Loa Loa (eye worm) nuclear hormone receptor 0.0005 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0056
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Echinococcus multilocularis neuropeptide s receptor 0.0499 0.4995 0.4995
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0003 0.0003
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0578 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0056 0.0056
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0056 0.0056
Schistosoma mansoni coup transcription factor 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0017 0.0128 0.0128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0056 0.0056
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0578 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0578 0.0578
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0578 0.0578
Echinococcus multilocularis neuropeptide receptor A26 0.0499 0.4995 0.4995
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0056 0.0056
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0498 0.0498
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0498 0.0498
Brugia malayi nuclear hormone receptor family member nhr-6 0.0005 0.0003 0.0003
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0178 0.0178
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0056 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0549 0.0549
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0003 0.0003
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0578 0.0578
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0549 0.0549
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0056 0.0056
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0056 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0056 0.0056
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0578 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0578 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0549 0.5
Brugia malayi tailless protein 0.0005 0.0003 0.0003
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0056 0.0056
Schistosoma mansoni zinc finger protein 0.0005 0.0003 0.0003
Brugia malayi MAP kinase sur-1 0.0062 0.0578 0.0578
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0056 0.0056
Brugia malayi nuclear receptor NHR-88 0.0005 0.0003 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0003 0.0003
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0056 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0017 0.0128 0.0128
Brugia malayi nuclear receptor RXR 0.0005 0.0003 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0003 0.0003
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0009 0.0009
Echinococcus granulosus thyroid hormone receptor alpha 0.0005 0.0003 0.0003
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0056 0.0056
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0578 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0009
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0003 0.0003
Brugia malayi nuclear hormone receptor 0.001 0.0056 0.0056
Trypanosoma brucei protein kinase, putative 0.0062 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi nuclear receptor NHR-67 0.0005 0.0003 0.0003
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0128 0.0128
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0549 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0056 0.0056
Schistosoma mansoni thyroid hormone receptor 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0056 0.0056
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0578 1
Schistosoma mansoni nuclear receptor 0.0005 0.0003 0.0003
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0056 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0056 0.0056
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0995 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0003
Brugia malayi orphan nuclear receptor NR2E1 0.0005 0.0003 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0056 0.0056
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0003 0.0003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0056 0.0056
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0578 0.0578
Echinococcus granulosus vesicular acetylcholine transporter 0.0995 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 31.6228 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) 35.4813 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
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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