Detailed information for compound 1601866

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.766 | Formula: C17H15ClN2O3
  • H donors: 1 H acceptors: 1 LogP: 2.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2nc(Cc3ccc(cc3)Cl)[nH]c(=O)c2cc1OC
  • InChi: 1S/C17H15ClN2O3/c1-22-14-8-12-13(9-15(14)23-2)19-16(20-17(12)21)7-10-3-5-11(18)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,19,20,21)
  • InChiKey: YOQNPJQQTVAKRX-UHFFFAOYSA-N  


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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
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0071 0.0069
Echinococcus multilocularis muscleblind protein 0.0175 0.0274 0.0704
Plasmodium vivax acyl-CoA synthetase, putative 0.0039 0.005 0.0047
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0429
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0023 0.0021
Onchocerca volvulus 0.0015 0.0011 0.0538
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0015 0.0011 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0011 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0011 0.0009
Echinococcus granulosus calcium transporting ATPase type 2C member 0.001 0.0003 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0071 0.0069
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.6086 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0023 0.0054
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0015 0.0011 0.0022
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0023 0.006
Echinococcus multilocularis muscleblind protein 1 0.0175 0.0274 0.0704
Loa Loa (eye worm) hypothetical protein 0.0052 0.0071 0.2529
Entamoeba histolytica hypothetical protein 0.0039 0.005 0.0122
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0091 0.0089
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0071 0.0069
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.001 0.0003 0.0007
Treponema pallidum cation-transporting ATPase, P-type 0.001 0.0003 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2376 0.3896 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0071 0.2529
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0023 0.006
Mycobacterium ulcerans acetyl-CoA synthetase 0.0015 0.0011 0.0009
Schistosoma mansoni cation-transporting atpase worm 0.001 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.1738
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.1738
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.001 0.0003 0.0007
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0015 0.0011 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0071 0.0069
Schistosoma mansoni cation-transporting atpase worm 0.001 0.0003 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.005 0.0128
Schistosoma mansoni cpg binding protein 0.0036 0.0045 0.0045
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2376 0.3896 0.3895
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0015 0.0011 0.0029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0014 0.0036
Onchocerca volvulus 0.0015 0.0011 0.0538
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0015 0.0011 0.0009
Trypanosoma brucei unspecified product 0.0016 0.0012 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0071 0.0069
Loa Loa (eye worm) oxidoreductase 0.0015 0.0011 0.0319
Onchocerca volvulus 0.0034 0.0042 0.2426
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0011 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0023 0.0021
Schistosoma mansoni eyes absent homolog 0.0103 0.0156 0.0156
Echinococcus multilocularis microtubule associated protein 2 0.0743 0.1209 0.3104
Schistosoma mansoni cation-transporting ATPase 0.001 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0175 0.0274 1
Plasmodium falciparum acyl-CoA synthetase 0.0039 0.005 0.0047
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0014 0.0036
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0011 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0023 0.0021
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0023 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2376 0.3896 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0015 0.0011 0.0009
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0023 0.0054
Echinococcus granulosus cation transporting ATPase 13A1 0.001 0.0003 0.0007
Plasmodium falciparum dihydroorotate dehydrogenase 0.6086 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0003 0.0009
Echinococcus multilocularis dna polymerase eta 0.0023 0.0023 0.006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0011 0.0319
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0052 0.0071 0.0069
Loa Loa (eye worm) hypothetical protein 0.0054 0.0075 0.2651
Giardia lamblia DINP protein human, muc B family 0.0023 0.0023 1
Echinococcus granulosus cation transporting atpase worm 0.001 0.0003 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0015 0.0011 0.0009
Schistosoma mansoni phosphoserine phosphatase 0.001 0.0003 0.0003
Schistosoma mansoni dihydroorotate dehydrogenase 0.6086 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0011 0.0009
Leishmania major DNA polymerase eta, putative 0.0023 0.0023 0.0021
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.1738
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.1738
Entamoeba histolytica acyl-coA synthetase, putative 0.0052 0.0071 0.0177
Echinococcus granulosus phospholipid transporting ATPase IIB 0.001 0.0003 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Echinococcus granulosus microtubule associated protein 2 0.0743 0.1209 0.3104
Schistosoma mansoni hypothetical protein 0.0037 0.0047 0.0047
Echinococcus granulosus cation transporting ATPase 13A3 0.001 0.0003 0.0007
Schistosoma mansoni atpase class VI type 11c 0.001 0.0003 0.0003
Onchocerca volvulus 0.0015 0.0011 0.0538
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0046 0.0044
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0015 0.0011 0.0009
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0052 0.0071 0.0069
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0046 0.0044
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.0071 0.0069
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0011 0.0022
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.001 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0103 0.0156 0.5653
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0071 0.0069
Leishmania major dihydroorotate dehydrogenase 0.6086 1 1
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0015 0.0011 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0015 0.0011 0.0009
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0052 0.0071 0.0069
Echinococcus granulosus tumor protein p63 0.0737 0.1198 0.3075
Trypanosoma brucei unspecified product 0.0016 0.0012 0.0009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.0071 0.0177
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2376 0.3896 1
Schistosoma mansoni microtubule-associated protein tau 0.0743 0.1209 0.1209
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0011 0.0009
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6086 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.005 0.0122
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0015 0.0011 0.0009
Schistosoma mansoni cpg binding protein 0.0036 0.0045 0.0045
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0052 0.0071 0.0069
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0015 0.0011 0.0009
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0039 0.005 0.0047
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0012 0.0009
Schistosoma mansoni ATPase 0.001 0.0003 0.0003
Echinococcus multilocularis phospholipid transporting ATPase VA 0.001 0.0003 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.0071 0.0177
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2376 0.3896 1
Brugia malayi Muscleblind-like protein 0.0175 0.0274 0.0272
Brugia malayi hypothetical protein 0.0039 0.005 0.0047
Schistosoma mansoni DNA polymerase eta 0.0023 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0103 0.0156 0.5653
Loa Loa (eye worm) hypothetical protein 0.0108 0.0164 0.5927
Echinococcus granulosus dna polymerase eta 0.0023 0.0023 0.006
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.6086 1 1
Echinococcus granulosus phospholipid transporting ATPase VA 0.001 0.0003 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Schistosoma mansoni type V p-type atpase isoform 0.001 0.0003 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0011 0.0009
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.001 0.0003 0.0003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0003 0.0009
Echinococcus multilocularis copper transporting ATPase 1 0.001 0.0003 0.0007
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0014 0.0429
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0023 0.0021
Treponema pallidum hypothetical protein 0.001 0.0003 0.5
Onchocerca volvulus 0.0015 0.0011 0.0538
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0013 0.0008 0.0005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0046 0.0044
Echinococcus multilocularis tumor protein p63 0.0737 0.1198 0.3075
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0014 0.0012
Plasmodium vivax acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0015 0.0011 0.0009
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.6086 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0012 0.0009
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0023 0.0054
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0011 0.0009
Loa Loa (eye worm) hypothetical protein 0.0015 0.0011 0.0319
Schistosoma mansoni hypothetical protein 0.0039 0.005 0.005
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0011 0.0009
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0104 0.0104
Echinococcus multilocularis cation transporting ATPase 13A1 0.001 0.0003 0.0007
Echinococcus granulosus dna polymerase kappa 0.0023 0.0023 0.006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0014 0.0012
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0015 0.0011 0.0009
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.6086 1 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0011 0.0009
Schistosoma mansoni ATPase 0.001 0.0003 0.0003
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0011 0.0009
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0071 0.0069
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0015 0.0011 0.0009
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0011 0.0009
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2376 0.3896 1
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0014
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0071 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Loa Loa (eye worm) histone methyltransferase 0.001 0.0003 0.0031
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0015 0.0011 0.0009
Schistosoma mansoni cpg binding protein 0.0034 0.0042 0.0042
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0023 0.0021
Echinococcus granulosus cpg binding protein 0.0036 0.0045 0.0115
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.005 0.0128
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.6086 1 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0015 0.0011 0.0009
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.001 0.0003 0.0007
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2376 0.3896 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0011 0.0022
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0023 0.0021
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0023 0.006
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0015 0.0011 0.0009
Loa Loa (eye worm) hypothetical protein 0.0037 0.0047 0.1623
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0023 0.0021
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Schistosoma mansoni acetyl-CoA synthetase 0.0015 0.0011 0.0011
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0011 0.0009
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6086 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2376 0.3896 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.001 0.0003 0.0007
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2376 0.3896 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.6086 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.005 0.0122
Mycobacterium ulcerans hypothetical protein 0.0052 0.0071 0.0069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.0071 0.0069
Brugia malayi CXXC zinc finger family protein 0.0034 0.0042 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0047 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0012 0.0009
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0023 0.0021
Toxoplasma gondii propionate-CoA ligase 0.0015 0.0011 0.0009
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0039 0.005 0.0047
Loa Loa (eye worm) hypothetical protein 0.0023 0.0023 0.077
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.6086 1 1
Schistosoma mansoni copper ABC transporter ATPase 0.001 0.0003 0.0003
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0023 0.0023
Echinococcus granulosus copper transporting ATPase 1 0.001 0.0003 0.0007
Echinococcus multilocularis cation transporting ATPase 13A3 0.001 0.0003 0.0007
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0075 0.0072
Onchocerca volvulus 0.0108 0.0164 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.005 0.005
Leishmania major DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Echinococcus multilocularis cpg binding protein 0.0036 0.0045 0.0115
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0023 0.0023
Brugia malayi Zinc finger, C2H2 type family protein 0.2376 0.3896 0.3895
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0052 0.0071 0.0069
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0015 0.0011 0.0009
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.6086 1 1
Echinococcus granulosus muscleblind protein 0.0175 0.0274 0.0704
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0023 0.0021
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0071 0.0069
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0075 0.0072
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0014
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0071 0.0069
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.0003 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0011 0.0009
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.6086 1 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0014 0.0036
Loa Loa (eye worm) hypothetical protein 0.0052 0.0071 0.2529
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0011 0.0319
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0015 0.0011 0.0029
Echinococcus multilocularis GPCR, family 2 0.0017 0.0014 0.0036
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0011 0.0319
Loa Loa (eye worm) hypothetical protein 0.0175 0.0274 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0023 0.0021
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2376 0.3896 1
Onchocerca volvulus 0.0052 0.0071 0.4267
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0014 0.0036
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0023 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Schistosoma mansoni cellular tumor antigen P53 0.0108 0.0164 0.0164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0075 0.2651
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0003 0.0001
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2376 0.3896 1
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.001 0.0003 0.0007
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2376 0.3896 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0046 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.1738
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0023 0.077
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.001 0.0003 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Echinococcus granulosus GPCR family 2 0.0017 0.0014 0.0036
Trypanosoma brucei unspecified product 0.0023 0.0023 0.0021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0023 0.0021
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0042 0.1438
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0011 0.0009
Brugia malayi hypothetical protein 0.0103 0.0156 0.0154
Echinococcus multilocularis cation transporting atpase worm 0.001 0.0003 0.0007
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0039 0.005 0.0122
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0011 0.0009
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0015 0.0011 0.0009
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0015 0.0011 0.0009
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0015 0.0011 0.0009
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0039 0.005 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 49 % Cytotoxicity against human HEY cells at 10 uM after 72 hrs by MTT assay ChEMBL. 22209417
Activity (functional) = 57 % Cytotoxicity against p53-deficient human HCT116 cells at 10 uM after 72 hrs by MTT assay ChEMBL. 22209417
Activity (functional) = 63 % Cytotoxicity against p53-positive human HCT116 cells at 10 uM after 72 hrs by MTT assay ChEMBL. 22209417
IC50 (functional) = 9 uM Cytotoxicity against p53-positive human HCT116 cells after 72 hrs by MTT assay ChEMBL. 22209417
IC50 (functional) > 10 uM Cytotoxicity against p53-deficient human HCT116 cells after 72 hrs by MTT assay ChEMBL. 22209417

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22209417

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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