Detailed information for compound 1625460

Basic information

Technical information
  • TDR Targets ID: 1625460
  • Name: NCI60_039544
  • MW: 829.724 | Formula: C40H30Cl2N4O8S2
  • H donors: 2 H acceptors: 6 LogP: 7.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1cc(ccc1O)C1SCC(=O)N1c1ccc2c(c1)Oc1c(=N2)c(Cl)c2c(=Nc3c(O2)cc(cc3)N2C(=O)CSC2c2ccc(c(c2)OCC)O)c1Cl
  • InChi: 1S/C40H30Cl2N4O8S2/c1-3-51-29-13-19(5-11-25(29)47)39-45(31(49)17-55-39)21-7-9-23-27(15-21)53-37-33(41)36-38(34(42)35(37)43-23)54-28-16-22(8-10-24(28)44-36)46-32(50)18-56-40(46)20-6-12-26(48)30(14-20)52-4-2/h5-16,39-40,47-48H,3-4,17-18H2,1-2H3
  • InChiKey: RGLGTQXNYMVLFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC713673

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
Schistosoma mansoni nuclear hormone receptor 0.001 0.0102 0.0102
Echinococcus granulosus cpg binding protein 0.0029 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0007 0.0034 0.012
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729
Schistosoma mansoni cpg binding protein 0.0029 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0398 0.4945
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0102 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0247 0.0422
Onchocerca volvulus 0.0039 0.0771 1
Onchocerca volvulus 0.0039 0.0771 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0034 0.0038
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2198 0.7781
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0615 0.2177
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0249 0.5561 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0268 0.0948
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0771 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0034 0.0132
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0505 0.6384
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0034 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0102 0.0362
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0102 0.0102
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0771 0.1367
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2825 0.2825
Loa Loa (eye worm) hypothetical protein 0.0069 0.1465 0.5187
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0102 0.0102
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0771 1
Brugia malayi beta-lactamase family protein 0.0039 0.0771 0.2729
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0268 0.4974
Schistosoma mansoni P2X receptor subunit 0.0443 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0102 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0102 0.0362
Schistosoma mansoni cpg binding protein 0.0029 0.0543 0.0543
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0102 0.0102
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0771 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1465 0.5187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.2825 1
Onchocerca volvulus 0.0007 0.0034 0.0438
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0034 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0102 0.0362
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0771 0.2729
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0771 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0102 0.1326
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0505 1
Brugia malayi beta-lactamase family protein 0.0039 0.0771 0.2729
Schistosoma mansoni coup transcription factor 0.001 0.0102 0.0102
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2198 0.7781
Onchocerca volvulus 0.0007 0.0034 0.0438
Echinococcus granulosus p2X purinoceptor 4 0.0443 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0615 0.0615
Onchocerca volvulus 0.0007 0.0034 0.0438
Loa Loa (eye worm) oxidoreductase 0.0007 0.0034 0.012
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0034 0.0034
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0161 0.0161
Echinococcus granulosus p2X purinoceptor 4 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0034 0.012
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0398 0.0695
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0038 0.0038
Schistosoma mansoni thyroid hormone receptor 0.001 0.0102 0.0102
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0398 0.4945
Trichomonas vaginalis esterase, putative 0.0039 0.0771 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0102 0.0362
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0771 0.2729
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0615 0.0615
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0398 0.4945
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0771 0.0771
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0333 0.7498 0.7498
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0505 0.4557
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0398 0.141
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0034 0.0038
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0038 0.0038
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0076 0.0076
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0102 0.1326
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0076 0.0076
Mycobacterium tuberculosis Conserved protein 0.0039 0.0771 0.1367
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0398 0.4945
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0771 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0058 0.1208 0.1208
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0034 0.012
Mycobacterium tuberculosis Conserved protein 0.0039 0.0771 0.1367
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0771 0.1367
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0398 0.4945
Brugia malayi ecdysteroid receptor 0.001 0.0102 0.0362
Brugia malayi TAR-binding protein 0.0129 0.2825 1
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0771 0.1367
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0102 0.0362
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0034 0.012
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0034 0.0038
Brugia malayi beta-lactamase 0.0039 0.0771 0.2729
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0615 0.2177
Schistosoma mansoni hypothetical protein 0.0069 0.1465 0.1465
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0771 0.0771
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0102 0.0102
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0268 0.0948
Leishmania major hypothetical protein, conserved 0.0027 0.0505 0.6384
Brugia malayi nuclear hormone receptor 0.001 0.0102 0.0362
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2198 0.7781
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0102 0.0102
Mycobacterium ulcerans beta-lactamase 0.0039 0.0771 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0102 0.0362
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Echinococcus granulosus tar DNA binding protein 0.0129 0.2825 0.2825
Loa Loa (eye worm) hypothetical protein 0.0027 0.0505 0.1786
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0102 0.0102
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0102 0.0102
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0034 0.012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0102 0.0362
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0771 0.0771
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0034 0.0038
Schistosoma mansoni hypothetical protein 0.0032 0.0615 0.0615
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0268 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0102 0.0102
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0398 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0771 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0034 0.012
Loa Loa (eye worm) histone methyltransferase 0.0008 0.0076 0.0268
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0398 0.4945
Schistosoma mansoni P2X receptor subunit 0.0443 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0102 0.0362
Brugia malayi steroid hormone receptor 0.001 0.0102 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0398 0.141
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0017 0.0268 0.0948
Loa Loa (eye worm) RNA binding protein 0.0129 0.2825 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0771 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0102 0.0102
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0102 0.0102
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0615 0.2177
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0102 0.1326
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2825 0.2825
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0771 0.0771
Toxoplasma gondii ABC1 family protein 0.0039 0.0771 0.7137
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0771 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0398 0.141
Leishmania major hypothetical protein, conserved 0.0039 0.0771 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0507 0.1796
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0398 0.0695
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0034 0.012
Onchocerca volvulus 0.0007 0.0034 0.0438
Loa Loa (eye worm) hypothetical protein 0.0023 0.0398 0.141
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0102 0.0362
Mycobacterium leprae Probable lipase LipE 0.0039 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0398 0.141
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0161 0.0161
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0771 0.1367
Echinococcus multilocularis p2X purinoceptor 4 0.0443 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0102 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0247 0.0422
Echinococcus granulosus FTZ F1 alpha 0.001 0.0102 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0102 0.0362
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0771 1
Onchocerca volvulus 0.0039 0.0771 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0102 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0102 0.0362
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0102 0.0102
Echinococcus multilocularis dnaJ subfamily B 0.039 0.8787 0.8787
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0268 0.3176
Toxoplasma gondii histone lysine methyltransferase SET1 0.0052 0.1067 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0398 0.4945
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0771 0.1367
Loa Loa (eye worm) hypothetical protein 0.0017 0.0268 0.0948
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0102 0.0102
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0017 0.0268 0.0948
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0102 0.0102
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0398 0.4945
Echinococcus multilocularis cpg binding protein 0.0029 0.0543 0.0543
Echinococcus multilocularis tar DNA binding protein 0.0129 0.2825 0.2825
Mycobacterium tuberculosis Conserved protein 0.0039 0.0771 0.1367
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0398 0.4945
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0038 0.0038
Brugia malayi RNA binding protein 0.0129 0.2825 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0034 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2825 0.2825
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0102 0.0102
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0771 0.1367
Loa Loa (eye worm) hypothetical protein 0.0023 0.0398 0.141
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0398 0.4945
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729
Mycobacterium ulcerans lipase LipD 0.0039 0.0771 1
Schistosoma mansoni hypothetical protein 0.0032 0.0615 0.0615
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0102 0.0362
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Loa Loa (eye worm) beta-lactamase 0.0039 0.0771 0.2729
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0034 0.0038
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0102 0.0362
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0102 0.0362
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0102 0.0362
Echinococcus multilocularis GPCR, family 2 0.0032 0.0615 0.0615
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0505 1
Brugia malayi hypothetical protein 0.0027 0.0505 0.1786
Onchocerca volvulus 0.0023 0.0398 0.5167
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0073 0.0259
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0771 0.1367
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0102 0.0102
Schistosoma mansoni P2X receptor subunit 0.0443 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0102 0.0362
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0102 0.0102
Schistosoma mansoni cpg binding protein 0.0027 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0101 0.2198 0.7781
Schistosoma mansoni hypothetical protein 0.0032 0.0615 0.0615
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0247 0.0422
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0034 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0102 0.0362
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0102 0.0362
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0038 0.0038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0247 0.0422
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0034 0.0038
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0505 0.6384
Brugia malayi CXXC zinc finger family protein 0.0027 0.0507 0.1796
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0268 0.3176
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0102 0.0102
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0771 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0102 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0034 0.012
Schistosoma mansoni hypothetical protein 0.039 0.8787 0.8787
Loa Loa (eye worm) TAR-binding protein 0.0129 0.2825 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0771 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0102 0.0102
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0102 0.0362
Onchocerca volvulus 0.0027 0.0507 0.6582
Schistosoma mansoni hypothetical protein 0.0012 0.0161 0.0161
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0398 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0102 0.0102
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0102 0.0362
Echinococcus granulosus dnaJ subfamily B 0.039 0.8787 0.8787
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2825 0.2825
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0268 0.046
Brugia malayi nuclear receptor NHR-88 0.001 0.0102 0.0362
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0102 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0102 0.0362
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0398 0.4945
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0102 0.0362
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0102 0.0102
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0102 0.0102
Brugia malayi hypothetical protein 0.0018 0.0284 0.1005
Echinococcus granulosus GPCR family 2 0.0032 0.0615 0.0615
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0505 0.6384
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0615 0.0615
Echinococcus multilocularis p2X purinoceptor 4 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0362
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.2825 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0034 0.012
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0398 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0398 0.4945
Schistosoma mansoni P2X receptor subunit 0.0443 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0615 0.0615
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0102 0.0362
Loa Loa (eye worm) hypothetical protein 0.0032 0.0615 0.2177
Onchocerca volvulus 0.001 0.0102 0.1326
Mycobacterium ulcerans hypothetical protein 0.0039 0.0771 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0505 0.6384
Schistosoma mansoni hypothetical protein 0.0032 0.0615 0.0615
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0034 0.012
Echinococcus multilocularis p2X purinoceptor 4 0.0443 1 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2825 0.2825
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0398 0.4945
Loa Loa (eye worm) hypothetical protein 0.0039 0.0771 0.2729

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.774 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.826 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.677 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.611 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.575 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.524 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.459 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.339 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.167 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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