Detailed information for compound 1523802

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.999 | Formula: C25H32ClFN4O2
  • H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN1C(=O)/C(=C\c2[nH]c(c(c2C)C(=O)N2CCCC2)C)/c2c1ccc(c2)F)C.Cl
  • InChi: 1S/C25H31FN4O2.ClH/c1-16-21(27-17(2)23(16)25(32)29-11-5-6-12-29)15-20-19-14-18(26)8-9-22(19)30(24(20)31)13-7-10-28(3)4;/h8-9,14-15,27H,5-7,10-13H2,1-4H3;1H/b20-15-;
  • InChiKey: FWUXQNRIZRWYHO-CRDKNBMZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.003 0.0226 0.0224
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0224 0.2774 0.2773
Loa Loa (eye worm) nuclear hormone receptor 0.003 0.0226 0.0226
Schistosoma mansoni nuclear receptor nhr-48 0.003 0.0226 0.0226
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 0.0671 0.0669
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0224 0.2774 0.2773
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.0226 0.0224
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0274 0.0274
Loa Loa (eye worm) steroid hormone receptor 0.0064 0.0671 0.0671
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0053 0.0527 0.0527
Loa Loa (eye worm) oxidoreductase 0.0773 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0426 0.0424
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0064 0.0671 0.0669
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 0.0671 0.0669
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0126 0.1486 0.1484
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0064 0.0671 0.0671
Schistosoma mansoni coup transcription factor 0.0064 0.0671 0.0671
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0773 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0448 0.0446
Loa Loa (eye worm) hypothetical protein 0.0313 0.3948 0.3948
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0426 0.0424
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0773 1 1
Schistosoma mansoni aldo-keto reductase 0.0773 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0671 0.0669
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0426 0.0424
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0274
Echinococcus granulosus ecdysone induced protein 78C 0.0064 0.0671 0.0669
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.003 0.0226 0.0224
Plasmodium falciparum aldehyde reductase, putative 0.0224 0.2774 1
Brugia malayi hypothetical protein 0.003 0.0226 0.0224
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0671 0.0671
Echinococcus multilocularis aldo keto reductase 0.0773 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 0.0671 0.0456
Echinococcus granulosus aldo keto reductase 0.0773 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.003 0.0226 0.0224
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 0.0671 0.0671
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0049 0.0047
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0224 0.2774 0.2774
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.003 0.0226 0.0226
Brugia malayi hypothetical protein 0.0034 0.0274 0.0272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.0448
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0448 0.0448
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0064 0.0671 0.0671
Brugia malayi nuclear hormone receptor family member odr-7 0.003 0.0226 0.0224
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 0.0671 0.0671
Leishmania major aldo-keto reductase-like protein 0.0773 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0034 0.0274 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0064 0.0671 0.0669
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0224 0.2774 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0034 0.0274 0.0274
Schistosoma mansoni RAR-like nuclear receptor 0.0064 0.0671 0.0671
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.1804 0.1802
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0671 0.0669
Echinococcus granulosus FTZ F1 alpha 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0274
Schistosoma mansoni nuclear hormone receptor 0.003 0.0226 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.0448
Echinococcus granulosus aldo keto reductase 0.0773 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0671 0.0669
Entamoeba histolytica aldose reductase, putative 0.0773 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Plasmodium vivax aldehyde reductase, putative 0.0224 0.2774 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0064 0.0671 0.0669
Trichomonas vaginalis aldo-keto reductase, putative 0.0224 0.2774 0.2773
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0064 0.0671 0.0671
Mycobacterium leprae Conserved hypothetical protein 0.0549 0.7054 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0224 0.2774 0.2773
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Brugia malayi nuclear receptor RXR 0.0034 0.0274 0.0272
Loa Loa (eye worm) hypothetical protein 0.0313 0.3948 0.3948
Trichomonas vaginalis aldo/keto reductase, putative 0.0773 1 1
Brugia malayi hypothetical protein 0.0034 0.0274 0.0272
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0773 1 1
Schistosoma mansoni nuclear hormone receptor 0.0064 0.0671 0.0671
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0376 0.0374
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 0.0671 0.0669
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0049 0.0047
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Brugia malayi conserved hypotetical protein 0.003 0.0226 0.0224
Schistosoma mansoni nuclear receptor 0.003 0.0226 0.0226
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0064 0.0671 0.0669
Brugia malayi Steroid receptor seven-up type 2 0.0064 0.0671 0.0669
Loa Loa (eye worm) oxidoreductase 0.0773 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0224 0.2774 0.2773
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.1861 0.1859
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Onchocerca volvulus 0.0773 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.003 0.0226 0.0224
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0064 0.0671 0.0669
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0773 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0064 0.0671 0.0669
Brugia malayi nuclear hormone receptor 0.003 0.0226 0.0224
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Schistosoma mansoni potassium channel beta 0.0224 0.2774 0.2774
Toxoplasma gondii aldo-keto reductase 0.0224 0.2774 0.2773
Onchocerca volvulus 0.0773 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0226 0.0224
Echinococcus multilocularis voltage gated potassium channel subunit 0.0224 0.2774 0.2773
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0002
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0773 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0049 0.0047
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0274 0.0272
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Entamoeba histolytica aldose reductase, putative 0.0773 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.003 0.0226 0.0226
Trypanosoma brucei prostaglandin f synthase 0.0773 1 1
Brugia malayi nuclear receptor RXR 0.003 0.0226 0.0224
Brugia malayi Nuclear hormone receptor E75 0.003 0.0226 0.0224
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0527 0.0525
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0773 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Onchocerca volvulus 0.0224 0.2774 0.2607
Brugia malayi Muscleblind-like protein 0.0313 0.3948 0.3947
Loa Loa (eye worm) DR-78 0.003 0.0226 0.0226
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0376 0.1349
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0527 0.0525
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0426 0.0424
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0224 0.2774 0.2773
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0527 0.0527
Onchocerca volvulus 0.0773 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0126 0.1486 0.1484
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0224 0.2774 0.2773
Echinococcus granulosus muscleblind protein 0.0313 0.3948 0.3947
Echinococcus multilocularis muscleblind protein 1 0.0313 0.3948 0.3947
Brugia malayi ecdysteroid receptor 0.0064 0.0671 0.0669
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Leishmania major prostaglandin f synthase, putative 0.0773 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0426 0.1529
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0224 0.2774 1
Trypanosoma cruzi aldo-keto reductase 0.0773 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.0226 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Toxoplasma gondii aldose reductase, putative 0.0773 1 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0126 0.1486 0.1486
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0036 0.0306 0.0306
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0376 0.0374
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0773 1 1
Brugia malayi nuclear receptor NHR-67 0.003 0.0226 0.0224
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0671 0.0671
Echinococcus multilocularis FTZ F1 alpha 0.0064 0.0671 0.0669
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0017 0.0049 0.0049
Entamoeba histolytica aldose reductase, putative 0.0773 1 1
Echinococcus granulosus GPCR family 2 0.0017 0.0049 0.0047
Onchocerca volvulus 0.0773 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.003 0.0226 0.0226
Schistosoma mansoni hypothetical protein 0.0017 0.0049 0.0049
Trichomonas vaginalis aldo/keto reductase, putative 0.0773 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0224 0.2774 0.2773
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0448 0.0446
Loa Loa (eye worm) nuclear receptor nhr-7B 0.003 0.0226 0.0226
Trypanosoma cruzi aldo/keto reductase, putative 0.0224 0.2774 0.2773
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Brugia malayi NADH-dependent xylose reductase 0.0224 0.2774 0.2773
Onchocerca volvulus 0.0773 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0064 0.0671 0.0456
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0064 0.0671 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.0448
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.003 0.0226 0.0224
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.0226 0.0224
Mycobacterium ulcerans oxidoreductase 0.0773 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0773 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 0.0671 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.0773 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0448 0.0446
Brugia malayi Nuclear hormone receptor E75 0.003 0.0226 0.0224
Trichomonas vaginalis aldo/keto reductase, putative 0.0773 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Echinococcus multilocularis aldo keto reductase 0.0773 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0671 0.0669
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0426 0.0424
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.0671 0.0669
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0306 0.0304
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.003 0.0226 0.0224
Echinococcus multilocularis muscleblind protein 0.0313 0.3948 0.3947
Onchocerca volvulus 0.0064 0.0671 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 0.0671 0.0669
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0448 0.0446
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0671 0.0669
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0773 1 1
Brugia malayi tailless protein 0.003 0.0226 0.0224
Loa Loa (eye worm) oxidoreductase 0.0773 1 1
Echinococcus multilocularis aldo keto reductase 0.0773 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0226 0.0224
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 0.0671 0.0671
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0064 0.0671 0.0669
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.1861 0.1859
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0618 0.7959 0.7958
Echinococcus granulosus aldo keto reductase 0.0773 1 1
Echinococcus granulosus aldehyde reductase 0.0549 0.7054 0.7053
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0049 0.0047
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Echinococcus multilocularis aldehyde reductase 0.0549 0.7054 0.7053
Brugia malayi steroid hormone receptor 0.0064 0.0671 0.0669
Schistosoma mansoni nuclear receptor 0.003 0.0226 0.0226
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0049 0.0047
Schistosoma mansoni zinc finger protein 0.003 0.0226 0.0226
Loa Loa (eye worm) acetyltransferase 0.0155 0.1861 0.1861
Echinococcus multilocularis aldo keto reductase 0.0773 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0773 1 1
Brugia malayi hypothetical protein 0.003 0.0226 0.0224
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0126 0.1486 0.1484
Giardia lamblia Aldose reductase 0.0773 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0773 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Schistosoma mansoni nuclear hormone receptor 0.003 0.0226 0.0226
Giardia lamblia Aldose reductase 0.0773 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0126 0.1486 0.1484
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0618 0.7959 0.7958
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0224 0.2774 0.2773
Schistosoma mansoni hypothetical protein 0.0036 0.0306 0.0306
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0049 0.0049
Loa Loa (eye worm) oxidoreductase 0.0773 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.2774 0.2773
Schistosoma mansoni aldo-keto reductase 0.0773 1 1
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0002 0.0002
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0126 0.1486 0.1486
Trypanosoma brucei aldo/keto reductase, putative 0.0224 0.2774 0.2773
Echinococcus granulosus thyroid hormone receptor alpha 0.003 0.0226 0.0224
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0671 0.0669
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0064 0.0671 0.0669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0671 0.0669
Echinococcus multilocularis nuclear receptor nhr 48 0.003 0.0226 0.0224
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Entamoeba histolytica alcohol dehydrogenase, putative 0.0224 0.2774 0.2773
Loa Loa (eye worm) hypothetical protein 0.0064 0.0671 0.0671
Loa Loa (eye worm) oxidoreductase 0.0773 1 1
Brugia malayi nuclear receptor NHR-88 0.003 0.0226 0.0224
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0064 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0017 0.0049 0.0049
Brugia malayi photoreceptor-specific nuclear receptor 0.0064 0.0671 0.0669
Schistosoma mansoni steroid hormone receptor ad4bp 0.0064 0.0671 0.0671
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0034 0.0274 0.0274
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0274 0.0272
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0049 0.0047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0448 0.0446
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0034 0.0274 0.0272
Trichomonas vaginalis aldo-keto reductase, putative 0.0773 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0049 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 0.0671 0.0669
Echinococcus granulosus hypothetical protein 0.0773 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0064 0.0671 0.0669
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0671 0.0669
Loa Loa (eye worm) hypothetical protein 0.0034 0.0274 0.0274
Schistosoma mansoni retinoic acid receptor RXR 0.0064 0.0671 0.0671
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0064 0.0671 0.0671
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.1861 0.1861
Brugia malayi nuclear hormone receptor family member nhr-6 0.003 0.0226 0.0224
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.0226 0.0224
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0773 1 1
Onchocerca volvulus 0.0773 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0224 0.2774 0.2773
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.0671 0.0671
Brugia malayi nuclear hormone receptor 0.0064 0.0671 0.0669
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0126 0.1486 0.1484
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0671 0.0669
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 0.0671 0.0671
Brugia malayi nuclear receptor NHR-88 0.0064 0.0671 0.0669
Brugia malayi ecdysone receptor 0.003 0.0226 0.0224
Schistosoma mansoni pol-related 0.0773 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 0.0671 0.0671
Trypanosoma brucei aldo-keto reductase, putative 0.0773 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 0.0671 0.0456
Trichomonas vaginalis aldo-keto reductase, putative 0.0224 0.2774 0.2773
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0773 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.56 uM Inhibition of VEGF-induced cell proliferation in HUVEC by MTT assay ChEMBL. 21450463
IC50 (functional) = 11.26 uM Inhibition of bFGF-induced cell proliferation in HUVEC by MTT assay ChEMBL. 21450463
IC50 (functional) = 11.6 uM Antitumor activity against human K562 cells ChEMBL. 21450463
IC50 (functional) = 11.92 uM Antitumor activity against human HL60 cells ChEMBL. 21450463
IC50 (functional) = 13.31 uM Antitumor activity against human MDA-MB-231 cells ChEMBL. 21450463
IC50 (functional) = 19.05 uM Antitumor activity against human IM9 cells ChEMBL. 21450463
IC50 (functional) = 21.23 uM Antitumor activity against human A549 cells ChEMBL. 21450463

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21450463

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.