Detailed information for compound 1642284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 222.671 | Formula: C11H11ClN2O
  • H donors: 2 H acceptors: 1 LogP: 1.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCNC(=O)Nc1cccc(c1)CCl
  • InChi: 1S/C11H11ClN2O/c1-2-6-13-11(15)14-10-5-3-4-9(7-10)8-12/h1,3-5,7H,6,8H2,(H2,13,14,15)
  • InChiKey: FVJONZRWJFEMKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.003 0.003
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0606 0.4075
Echinococcus multilocularis carboxylesterase 5A 0.0193 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Schistosoma mansoni BC026374 protein (S09 family) 0.0033 0.0132 0.0132
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0029 0.0106 0.0096
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0606 0.0606
Schistosoma mansoni Fxna peptidase (M28 family) 0.0205 0.1487 0.1487
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0046
Echinococcus granulosus BC026374 protein S09 family 0.0033 0.0132 0.0132
Trypanosoma cruzi glutaminyl cyclase, putative 0.0205 0.1487 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0106 0.0715
Loa Loa (eye worm) steroid hormone receptor 0.002 0.003 0.002
Brugia malayi Carboxylesterase family protein 0.0193 0.1393 0.1393
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.1487 0.6962
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0056 0.028
Onchocerca volvulus Fxna peptidase homolog 0.0205 0.1487 0.1461
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.003 0.003
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0787 0.5293
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.003 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0132 0.0132
Loa Loa (eye worm) carboxylesterase 0.0033 0.0132 0.0122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0056 0.0374
Echinococcus multilocularis acetylcholinesterase 0.0193 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Brugia malayi hypothetical protein 0.0033 0.0132 0.0132
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0606 0.0596
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.1485 0.1476
Loa Loa (eye worm) glutathione reductase 0.0046 0.0235 0.0225
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.003 0.003
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0235 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Schistosoma mansoni acetylcholinesterase 0.0033 0.0132 0.0132
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.003 0.003
Schistosoma mansoni kinase 0.0047 0.0247 0.0247
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0098 0.0098
Brugia malayi Carboxylesterase family protein 0.0033 0.0132 0.0132
Loa Loa (eye worm) leucyl aminopeptidase 0.0205 0.1487 0.1478
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0106 0.0106
Plasmodium vivax glutathione reductase, putative 0.0046 0.0235 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0606 0.4075
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Onchocerca volvulus 0.0205 0.1487 0.1461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.003 0.002
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.028
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0106 0.0106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Onchocerca volvulus 0.0233 0.1707 0.1682
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0606 0.2194
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0205 0.1487 0.1487
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0374
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0106 0.0106
Plasmodium vivax SET domain protein, putative 0.0029 0.0106 0.4524
Leishmania major hypothetical protein, conserved 0.0205 0.1487 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.003 0.003
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0606 0.0606
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.028
Mycobacterium tuberculosis Probable reductase 0.0104 0.0695 0.4678
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Mycobacterium tuberculosis Conserved protein 0.0205 0.1487 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0695 0.4678
Echinococcus granulosus para nitrobenzyl esterase 0.0033 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0046
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0205 0.1487 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.001 0.043
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.001 0.043
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.003 0.003
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0235 0.158
Echinococcus multilocularis BC026374 protein (S09 family) 0.0033 0.0132 0.0132
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0235 0.0235
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0033 0.0132 0.0887
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.003 0.003
Onchocerca volvulus 0.0029 0.0106 0.0076
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.003 0.003
Mycobacterium ulcerans hypothetical protein 0.0023 0.0056 0.028
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.001 0.0051
Entamoeba histolytica hypothetical protein 0.0097 0.064 0.2331
Brugia malayi Carboxylesterase family protein 0.0033 0.0132 0.0132
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0132 0.0132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.003 0.003
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0205 0.1487 0.1487
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0374
Loa Loa (eye worm) glutaminase 0.0269 0.1989 0.1981
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.2135 0.833
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0056
Mycobacterium ulcerans carboxylesterase, LipT 0.0033 0.0132 0.0663
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0205 0.1487 0.1487
Schistosoma mansoni glutaminase 0.0269 0.1989 0.1989
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.003 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.003 0.003
Trichomonas vaginalis glutaminase, putative 0.0269 0.1989 0.9315
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Loa Loa (eye worm) hypothetical protein 0.1288 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0033 0.0132 0.0132
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0193 0.1393 0.1393
Mycobacterium ulcerans glutaminase 0.0269 0.1989 1
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.1487 0.6962
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.003 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0003 0.0019
Echinococcus multilocularis FTZ F1 alpha 0.002 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0193 0.1393 0.1384
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0033 0.0132 0.0132
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0106 0.0106
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0235 0.0225
Onchocerca volvulus 0.0033 0.0132 0.0102
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0235 0.158
Plasmodium falciparum glutathione reductase 0.0046 0.0235 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0056 0.028
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.003 0.003
Schistosoma mansoni thyroid hormone receptor 0.002 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.003 0.002
Echinococcus granulosus carboxylesterase 5A 0.0193 0.1393 0.1393
Echinococcus granulosus acetylcholinesterase 0.0193 0.1393 0.1393
Schistosoma mansoni gliotactin 0.0033 0.0132 0.0132
Brugia malayi Thioredoxin reductase 0.0046 0.0235 0.0235
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0056 0.028
Brugia malayi Carboxylesterase family protein 0.0193 0.1393 0.1393
Mycobacterium ulcerans hypothetical protein 0.0205 0.1487 0.7474
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0237 0.111
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0787 0.7916
Trypanosoma brucei trypanothione reductase 0.0046 0.0235 0.158
Brugia malayi steroid hormone receptor 0.002 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.003 0.003
Onchocerca volvulus 0.0033 0.0132 0.0102
Onchocerca volvulus 0.0023 0.0056 0.0025
Echinococcus granulosus acetylcholinesterase 0.0193 0.1393 0.1393
Leishmania major trypanothione reductase 0.0046 0.0235 0.158
Toxoplasma gondii hypothetical protein 0.0205 0.1487 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0695 0.6925
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0056
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0003 0.0019
Onchocerca volvulus 0.0033 0.0132 0.0102
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2135 0.8293
Onchocerca volvulus 0.0033 0.0132 0.0102
Onchocerca volvulus Fxna peptidase homolog 0.0205 0.1487 0.1461
Loa Loa (eye worm) carboxylesterase 0.0193 0.1393 0.1384
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.003 0.003
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0205 0.1487 0.1487
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.003 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0606 0.2837
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.003 0.002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Brugia malayi ecdysteroid receptor 0.002 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.003 0.003
Trypanosoma cruzi glutaminyl cyclase, putative 0.0205 0.1487 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0106 0.0106
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0056 0.0374
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.2135 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0342 0.2563 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.003 0.003
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0979 0.4924
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0606 0.4075
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0033 0.0132 0.0132
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0695 0.4678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.003 0.002
Loa Loa (eye worm) hypothetical protein 0.0205 0.1487 0.1478
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0787 0.5293
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.1487 0.6962
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.003 0.003
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1707 0.7994
Echinococcus multilocularis acetylcholinesterase 0.0193 0.1393 0.1393
Onchocerca volvulus 0.0033 0.0132 0.0102
Trichomonas vaginalis spcc417.12 protein, putative 0.0033 0.0132 0.0617
Giardia lamblia Kinase, PLK 0.0093 0.0606 0.2363
Plasmodium falciparum thioredoxin reductase 0.0046 0.0235 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0056 0.028
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0606 0.0606
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.003 0.002
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0787 0.5293
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0979 0.6588
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.064 0.2331
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.003 0.003
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0695 0.4678
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0235 0.0235
Brugia malayi nuclear hormone receptor 0.002 0.003 0.003
Echinococcus multilocularis neuroligin 0.0033 0.0132 0.0132
Loa Loa (eye worm) acetylcholinesterase 1 0.0193 0.1393 0.1384
Brugia malayi Pre-SET motif family protein 0.0029 0.0106 0.0106
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.003 0.003
Schistosoma mansoni coup transcription factor 0.002 0.003 0.003
Mycobacterium tuberculosis Carboxylesterase LipT 0.0033 0.0132 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.003 0.003
Loa Loa (eye worm) glutaminase 2 0.0269 0.1989 0.1981
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0205 0.1487 0.1487
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.1288 1 1
Onchocerca volvulus Fxna peptidase homolog 0.0205 0.1487 0.1461
Brugia malayi Carboxylesterase family protein 0.0033 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0205 0.1487 0.1478
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.003 0.003
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0205 0.1487 0.7474
Toxoplasma gondii peptidase, M28 family protein 0.0205 0.1487 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.1288 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0695 0.4678
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2135 0.8293
Echinococcus granulosus neuroligin 0.0033 0.0132 0.0132
Loa Loa (eye worm) carboxylesterase 0.0033 0.0132 0.0122
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0606 0.0606
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.003 0.003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.003 0.003
Brugia malayi nuclear receptor NHR-88 0.002 0.003 0.003
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.001 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.1288 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.003 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0205 0.1487 0.1487
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.1288 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.003 0.002
Brugia malayi glutathione reductase 0.0046 0.0235 0.0235
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0106 0.0106
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0237 0.111
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.003 0.003
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.003 0.003
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.001 0.0068
Echinococcus granulosus FTZ F1 alpha 0.002 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.028
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.003 0.003
Schistosoma mansoni thyroid hormone receptor 0.002 0.003 0.003
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0132 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.003 0.003
Brugia malayi nicalin 0.0205 0.1487 0.1487
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.003 0.003
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0979 1
Brugia malayi Carboxylesterase family protein 0.0033 0.0132 0.0132
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0695 0.4678
Loa Loa (eye worm) hypothetical protein 0.0193 0.1393 0.1384
Loa Loa (eye worm) hypothetical protein 0.0205 0.1487 0.1478
Schistosoma mansoni nicalin (M28 family) 0.0205 0.1487 0.1487
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.003 0.003
Brugia malayi glutaminase DH11.1 0.0269 0.1989 0.1989
Loa Loa (eye worm) hypothetical protein 0.0033 0.0132 0.0122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0003 0.0019
Trypanosoma brucei glutaminyl cyclase, putative 0.0205 0.1487 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2135 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.003 0.003
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0033 0.0132 0.0617
Brugia malayi Pre-SET motif family protein 0.0205 0.1485 0.1485
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0033 0.0132 0.0887
Schistosoma mansoni nuclear hormone receptor 0.002 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0205 0.1487 0.1478
Brugia malayi FXNA 0.0205 0.1487 0.1487
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0205 0.1487 0.6962
Leishmania major glutaminyl cyclase, putative 0.0205 0.1487 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0235 0.158
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.003 0.003
Echinococcus multilocularis para nitrobenzyl esterase 0.0033 0.0132 0.0132
Giardia lamblia DNA repair protein RAD52 0.0342 0.2563 1
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.002
Brugia malayi leucyl aminopeptidase 0.0205 0.1487 0.1487
Brugia malayi Steroid receptor seven-up type 2 0.002 0.003 0.003
Trypanosoma brucei polo-like protein kinase 0.0093 0.0606 0.4075
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0003 0.0019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.003 0.003
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0606 0.0577
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0374
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0205 0.1487 0.1487
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0106 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.003 0.003

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 86.86 % Cytotoxicity against human HeLa cells at 100 uM after 48 hrs by MTT assay ChEMBL. 22414612
IC50 (functional) = 1.55 uM Cytotoxicity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 22414612
Inhibition (binding) Inhibition of human recombinant EGFR expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate at 1 uM after 15 to 60 mins by fluorescence assay ChEMBL. 23562241
Inhibition (binding) Inhibition of human recombinant EGFR expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate at 1 uM after 60 mins by fluorescence assay ChEMBL. 22414612
Inhibition (binding) Inhibition of human recombinant PDGFR-beta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate at 1 uM after 60 mins by fluorescence assay ChEMBL. 22414612
Inhibition (binding) Inhibition of human recombinant FGFR1 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate at 1 uM after 60 mins by fluorescence assay ChEMBL. 22414612
Inhibition (binding) Inhibition of human recombinant PDGFR-beta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)] as substrate at 1 uM after 15 to 60 mins by fluorescence assay ChEMBL. 23562241

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22414612

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

2 literature references were collected for this gene.

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