Detailed information for compound 540317

Basic information

Technical information
  • TDR Targets ID: 540317
  • Name: m-cresol; o-cresol; p-cresol
  • MW: 324.413 | Formula: C21H24O3
  • H donors: 3 H acceptors: 3 LogP: 5.79 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O
  • InChi: 1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3
  • InChiKey: QTWJRLJHJPIABL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methylphenol; 3-methylphenol; 4-methylphenol
  • cresol
  • m-cresol; 2-methylphenol; p-cresol
  • 8026-94-6
  • o(m And p)-Cresol
  • NCI60_001764
  • NCI21061
  • NCGC00013272
  • NSC-21061
  • 03869_FLUKA
  • Cresol mixture of isomers
  • Methylphenol tricresol
  • NSC21061

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0225 0.3691
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0541 0.2411
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0009 0.0039 0.0083
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Schistosoma mansoni Smad4 0.0007 0.0007 0.003
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0596 0.2654
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.4677 1
Brugia malayi beta-lactamase 0.0035 0.0609 0.1255
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0.0191 0.276
Onchocerca volvulus 0.0016 0.0191 0.3128
Brugia malayi Sugar transporter family protein 0.0111 0.2245 0.4625
Onchocerca volvulus 0.0016 0.0191 0.3128
Echinococcus multilocularis Smad4 0.0016 0.0195 0.0869
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0586 0.2612
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0609 0.8824
Trypanosoma brucei glucose transporter 1E 0.0034 0.0596 0.8629
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0.0191 0.0407
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0587 0.0888
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0009 0.0039 0.0083
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0249 0.1108
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trypanosoma cruzi glucose transporter, putative 0.0016 0.0191 0.276
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0388 0.6369
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trypanosoma brucei sugar transporter, putative 0.0016 0.0191 0.276
Onchocerca volvulus 0.0016 0.0191 0.3128
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0195 0.0869
Echinococcus granulosus General substrate transporter 0.0095 0.1909 0.8503
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.035 0.5072
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0249 0.0512
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0388 0.0388
Brugia malayi mothers against decapentaplegic homolog 3 0.0007 0.0007 0.0014
Toxoplasma gondii sugar transporter ST1 0.0016 0.0191 0.0288
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0.0039 0.0563
Loa Loa (eye worm) hypothetical protein 0.0034 0.0586 0.1208
Schistosoma mansoni smad 0.0016 0.0195 0.0869
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0609 0.2714
Onchocerca volvulus 0.0016 0.0191 0.3128
Schistosoma mansoni glucose transport protein 0.0111 0.2245 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0191 0.0849
Toxoplasma gondii cytochrome p450 superfamily protein 0.0009 0.0039 0.0059
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0609 0.2714
Schistosoma mansoni glucose transporter 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0609 0.1303
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0587 0.0587
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0587 0.0587
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Entamoeba histolytica hypothetical protein 0.0035 0.0609 1
Echinococcus multilocularis General substrate transporter 0.0095 0.1909 0.8503
Trypanosoma brucei glucose transporter 2A 0.0034 0.0596 0.8629
Brugia malayi cytochrome P450 0.0009 0.0039 0.008
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0609 0.1303
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0009 0.0039 0.0638
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0191 0.3128
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0191 0.0393
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Leishmania major hypothetical protein, conserved 0.0016 0.0191 0.276
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0009 0.0039 0.0638
Brugia malayi major facilitator superfamily protein 0.0016 0.0191 0.0393
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0388 0.562
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.069 1
Brugia malayi beta-lactamase family protein 0.0035 0.0609 0.1255
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0609 0.2714
Mycobacterium ulcerans sugar transporter 0.0016 0.0191 0.3128
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.4697 0.9678
Loa Loa (eye worm) sugar transporter 0.0111 0.2245 0.4625
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.035 0.5753
Schistosoma mansoni smad1 5 8 and 0.0016 0.0195 0.0869
Mycobacterium ulcerans hypothetical protein 0.0023 0.035 0.5748
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0609 0.0609
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0009 0.0039 0.0083
Brugia malayi MH1 domain containing protein 0.0009 0.0043 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0191 0.0849
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Plasmodium falciparum protein kinase 7 0.0313 0.6608 0.6608
Brugia malayi follicle stimulating hormone receptor 0.0224 0.4697 0.9678
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0609 0.8824
Brugia malayi Cytochrome P450 family protein 0.0009 0.0039 0.008
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0463
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium leprae putative cytochrome p450 0.0009 0.0039 0.0638
Entamoeba histolytica protein kinase, putative 0.0034 0.0586 0.9634
Plasmodium falciparum hexose transporter 0.0111 0.2245 0.2245
Toxoplasma gondii ABC1 family protein 0.0035 0.0609 0.0922
Plasmodium vivax sugar transporter, putative 0.0016 0.0191 0.0191
Loa Loa (eye worm) sugar transporter 0.0016 0.0191 0.0393
Echinococcus multilocularis solute carrier family 22 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0009 0.0039 0.0083
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0388 0.1728
Schistosoma mansoni smad 0.0007 0.0007 0.003
Echinococcus granulosus mothers against decapentaplegic 2 0.0007 0.0007 0.003
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0249 0.4082
Brugia malayi major facilitator superfamily protein 0.0016 0.0191 0.0393
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0596 0.2654
Trypanosoma cruzi cytochrome P450, putative 0.0009 0.0039 0.0563
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.069 0.1045
Schistosoma mansoni smad1 5 8 and 0.0016 0.0195 0.0869
Echinococcus granulosus cytochrome P450 2K1 0.0009 0.0039 0.0173
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0009 0.0039 0.0638
Leishmania major glucose transporter, lmgt2 0.0034 0.0596 0.8629
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Schistosoma mansoni protein kinase 0.0034 0.0586 0.2612
Echinococcus granulosus mothers against decapentaplegic 6 0.0007 0.0007 0.003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0609 0.1255
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0388 0.562
Toxoplasma gondii exonuclease III APE 0.0018 0.0249 0.0376
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0195 0.0869
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0587 0.0587
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0009 0.0039 0.0638
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0195 0.0869
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0609 0.2714
Echinococcus granulosus Smad4 0.0016 0.0195 0.0869
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0596 0.2654
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0463
Brugia malayi Sugar transporter family protein 0.0016 0.0191 0.0393
Mycobacterium leprae Probable lipase LipE 0.0035 0.0609 1
Plasmodium vivax hexose transporter 0.0111 0.2245 0.2245
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0609 0.2714
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0009 0.0039 0.0083
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0.0039 0.0563
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.035 0.5748
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0596 0.2654
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Onchocerca volvulus 0.0016 0.0191 0.3128
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0609 0.1303
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0249 0.3602
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0249 0.0532
Echinococcus multilocularis solute carrier family 22 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0009 0.0039 0.0083
Brugia malayi hypothetical protein 0.0016 0.0191 0.0393
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Schistosoma mansoni protein kinase 0.0034 0.0586 0.2612
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0009 0.0039 0.0083
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0009 0.0039 0.0083
Echinococcus multilocularis solute carrier family 22 0.0016 0.0191 0.0849
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0191 0.3128
Trypanosoma cruzi hexose transporter 0.0034 0.0596 0.8629
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0586 0.8493
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0308 0.5049
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0225 0.0481
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0596 0.2654
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Echinococcus multilocularis mothers against decapentaplegic 2 0.0007 0.0007 0.003
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Mycobacterium ulcerans hypothetical protein 0.0035 0.0609 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0388 0.6369
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0205 0.0438
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0587 0.0888
Brugia malayi Cytochrome P450 family protein 0.0009 0.0039 0.008
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0587 0.0888
Onchocerca volvulus 0.0016 0.0191 0.3128
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0596 0.8629
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0249 0.0512
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0596 0.8629
Leishmania major cytochrome p450-like protein 0.0009 0.0039 0.0563
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.035 0.5748
Echinococcus multilocularis 0.0009 0.0039 0.0173
Loa Loa (eye worm) hypothetical protein 0.0009 0.0043 0.0088
Entamoeba histolytica hypothetical protein 0.0025 0.0388 0.6375
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0609 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0009 0.0039 0.0638
Mycobacterium tuberculosis Conserved protein 0.0035 0.0609 0.1303
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0249 0.3602
Loa Loa (eye worm) hypothetical protein 0.0033 0.0572 0.1178
Onchocerca volvulus 0.0016 0.0191 0.3128
Schistosoma mansoni smad1 5 8 and 0.0016 0.0195 0.0869
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0191 0.0849
Echinococcus granulosus solute carrier family 22 0.0016 0.0191 0.0849
Brugia malayi Cam kinase protein 1 0.0034 0.0586 0.1208
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Entamoeba histolytica hypothetical protein 0.0035 0.0609 1
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.0149 0.0307
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0033 0.0572 0.9382
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0463
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.035 0.5748
Schistosoma mansoni sugar transporter 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.035 0.0749
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0009 0.0039 0.0083
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0587 0.0587
Loa Loa (eye worm) MH2 domain-containing protein 0.0007 0.0007 0.0014
Schistosoma mansoni cytochrome P450 0.0009 0.0039 0.0173
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0191 0.3128
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0039 0.008
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0586 0.2612
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0205 0.0438
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0191 0.0393
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0007 0.0007 0.011
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.069 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0308 0.0658
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0388 0.5182
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.035 0.5753
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0191 0.0849
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0225 0.0225
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0191 0.0393
Trypanosoma cruzi cytochrome P450, putative 0.0009 0.0039 0.0563
Echinococcus multilocularis mothers against decapentaplegic 6 0.0007 0.0007 0.003
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0249 0.1108
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0596 0.8629
Loa Loa (eye worm) hypothetical protein 0.0023 0.035 0.0722
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0609 0.2714
Schistosoma mansoni hypothetical protein 0.0035 0.0609 0.2711
Loa Loa (eye worm) hypothetical protein 0.0023 0.035 0.0722
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0009 0.0039 0.0563
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0596 0.8629
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0596 0.8629
Onchocerca volvulus 0.0035 0.0609 1
Schistosoma mansoni ap endonuclease 0.0018 0.0249 0.1108
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0572 0.2546
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0033 0.0572 0.1178
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0191 0.0393
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0009 0.0039 0.0638
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0111 0.2245 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0609 0.1255
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0195 0.0869
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Trichomonas vaginalis esterase, putative 0.0035 0.0609 0.2714
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0388 0.1728
Brugia malayi hypothetical protein 0.0035 0.0609 0.1254
Loa Loa (eye worm) hypothetical protein 0.0027 0.0437 0.0901
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0249 0.1108
Loa Loa (eye worm) CYP4Cod1 0.0009 0.0039 0.008
Entamoeba histolytica hypothetical protein 0.0035 0.0609 1
Onchocerca volvulus 0.0016 0.0191 0.3128
Brugia malayi AMP-binding enzyme family protein 0.0023 0.035 0.0722
Onchocerca volvulus Putative transporter 0.0016 0.0191 0.3128
Trypanosoma brucei cytochrome P450, putative 0.0009 0.0039 0.0563
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0012 0.0108 0.1769
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Mycobacterium leprae Conserved hypothetical protein 0.0009 0.0039 0.0638
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0388 0.1728
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0009 0.0039 0.0638
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0463
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0463
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Brugia malayi Sugar transporter family protein 0.0016 0.0191 0.0393
Leishmania major cytochrome p450-like protein 0.0009 0.0039 0.0563
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Brugia malayi MH1 domain containing protein 0.0009 0.0043 0.0088
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0009 0.0039 0.0638
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0009 0.0039 0.0638
Mycobacterium tuberculosis Conserved protein 0.0035 0.0609 0.1303
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0308 0.0658
Schistosoma mansoni sugar transporter 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0205 0.0438
Toxoplasma gondii facilitative glucose transporter GT1 0.0111 0.2245 0.3397
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Leishmania major glucose transporter, lmgt1 0.0034 0.0596 0.8629
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.4854 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Mycobacterium tuberculosis Conserved protein 0.0035 0.0609 0.1303
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.069 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.035 0.0722
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0225 0.0225
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0033 0.0572 0.1178
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0609 0.2711
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0609 0.1303
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.069 1
Brugia malayi hypothetical protein 0.0016 0.0191 0.0393
Brugia malayi Smad1 0.0016 0.0195 0.0402
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.035 0.5072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0572 0.1178
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0009 0.0039 0.0083
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0572 0.2546
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.069 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0009 0.0039 0.0638
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0609 0.2714
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Plasmodium falciparum proline--tRNA ligase 0.0039 0.069 0.069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0205 0.0438
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Trypanosoma brucei glucose transporter, putative 0.0034 0.0596 0.8629
Schistosoma mansoni Smad4 0.0016 0.0195 0.0869
Schistosoma mansoni hypothetical protein 0.0009 0.0039 0.0173
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0033 0.0572 0.2546
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0195 0.0869
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0586 0.1208
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0179 0.3717 0.3717
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0388 0.562
Onchocerca volvulus 0.0035 0.0609 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.4854 1
Brugia malayi beta-lactamase family protein 0.0035 0.0609 0.1255
Onchocerca volvulus 0.0016 0.0191 0.3128
Brugia malayi hypothetical protein 0.0016 0.0191 0.0393
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0388 0.1728
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0.0191 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.2245 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.035 0.5748
Schistosoma mansoni sugar transporter 0.0016 0.0191 0.0849
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0587 0.0587
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0322 0.1435
Brugia malayi MH2 domain containing protein 0.0016 0.0195 0.0402
Onchocerca volvulus 0.0016 0.0191 0.3128
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0586 0.1208
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0586 0.2612
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0009 0.0039 0.0563
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.035 0.5748
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0587 0.0587
Brugia malayi MH1 domain containing protein 0.0016 0.0195 0.0402
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0009 0.0039 0.0083
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0.0191 0.0191
Loa Loa (eye worm) Smad1 0.0016 0.0195 0.0402
Brugia malayi Cytochrome P450 family protein 0.0032 0.0536 0.1104
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0191 0.0849
Brugia malayi MH2 domain containing protein 0.0007 0.0007 0.0014
Onchocerca volvulus 0.0035 0.0609 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0009 0.0039 0.0638
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0.0191 0.0407
Echinococcus granulosus solute carrier family 22 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0609 0.1303
Brugia malayi MH2 domain containing protein 0.0016 0.0195 0.0402
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0191 0.0849
Toxoplasma gondii protein kinase, putative 0.0313 0.6608 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0009 0.0039 0.0638
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0009 0.0039 0.0638
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.069 0.069
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0009 0.0039 0.0638
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0388 0.0388
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0009 0.0039 0.0083
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0596 0.8629
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0225 0.4179
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0009 0.0039 0.0638
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0596 0.2654
Schistosoma mansoni glucose transport protein 0.0111 0.2245 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0009 0.0039 0.0083
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0009 0.0039 0.0083
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0009 0.0039 0.0083
Echinococcus granulosus smad 0.0016 0.0195 0.0869
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0388 0.0587
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0609 0.8824
Schistosoma mansoni glucose transport protein 0.0111 0.2245 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.035 0.5748
Loa Loa (eye worm) hypothetical protein 0.0016 0.0191 0.0393
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0195 0.0402
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0249 0.0249
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0009 0.0039 0.0638
Giardia lamblia Prolyl-tRNA synthetase 0.0033 0.0572 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0609 1
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0388 0.0799
Echinococcus granulosus solute carrier family 22 0.0016 0.0191 0.0849
Loa Loa (eye worm) hypothetical protein 0.0025 0.0388 0.0799
Onchocerca volvulus 0.0016 0.0191 0.3128
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0609 0.1255
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0609 0.1303
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0007 0.0007 0.0014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0609 0.2711
Brugia malayi AMP-binding enzyme family protein 0.0023 0.035 0.0722
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0009 0.0039 0.0638
Trypanosoma cruzi hexose transporter, putative 0.0019 0.026 0.3761
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0536 0.1104
Loa Loa (eye worm) hypothetical protein 0.0023 0.035 0.0722
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0009 0.0039 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0609 0.2714
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0009 0.0039 0.0083
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0009 0.0039 0.0083
Entamoeba histolytica protein kinase, putative 0.0034 0.0586 0.9634
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0609 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0586 0.2612
Onchocerca volvulus 0.0016 0.0191 0.3128
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Loa Loa (eye worm) cytochrome P450 0.0009 0.0039 0.008
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0009 0.0039 0.0638
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0191 0.0393
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0596 0.8629
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.035 0.5748
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0587 0.0587
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0249 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Echinococcus multilocularis smad 0.0016 0.0195 0.0869
Onchocerca volvulus 0.0016 0.0191 0.3128
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0388 1
Schistosoma mansoni sugar transporter 0.0016 0.0191 0.0849
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0609 0.2711
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0388 0.6369
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0586 0.1208
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Loa Loa (eye worm) hypothetical protein 0.0035 0.0609 0.1255
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0033 0.0572 0.2546
Onchocerca volvulus 0.0016 0.0191 0.3128
Schistosoma mansoni protein kinase 0.0034 0.0586 0.2612
Leishmania major glucose transporter, lmgt3 0.0034 0.0596 0.8629
Loa Loa (eye worm) nuclear factor I 0.0009 0.0043 0.0088
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0009 0.0039 0.0638
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0009 0.0039 0.0638
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.035 0.5748
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0249 0.0249
Trypanosoma cruzi sugar transporter, putative 0.0016 0.0191 0.276
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0249 0.1108
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0039 0.008
Brugia malayi MH1 domain containing protein 0.0016 0.0195 0.0402
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0179 0.3717 0.5625
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.035 0.5748
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Entamoeba histolytica hypothetical protein 0.0035 0.0609 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0009 0.0039 0.0638
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0541 0.2411
Schistosoma mansoni Smad4 0.0007 0.0007 0.003
Plasmodium vivax CDK-related protein kinase 6, putative 0.047 1 1
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0.0191 0.0849
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.035 0.5753
Schistosoma mansoni hypothetical protein 0.0111 0.2245 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.035 0.5072
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0009 0.0039 0.0083
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0249 0.1526
Plasmodium falciparum mitogen-activated protein kinase 2 0.0179 0.3717 0.3717
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0249 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0007 0.0007 0.0014
Onchocerca volvulus 0.0016 0.0191 0.3128
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0249 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0111 0.2245 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0191 0.0849
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0388 0.1728
Echinococcus multilocularis solute carrier family 22 0.0016 0.0191 0.0849
Trichomonas vaginalis sugar transport protein, putative 0.0016 0.0191 0.0849
Schistosoma mansoni ap endonuclease 0.0018 0.0249 0.1108
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0609 0.2714
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0191 0.0849
Leishmania major hypothetical protein, conserved 0.0035 0.0609 0.8824
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0195 0.0402
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0191 0.0849
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0609 0.1303
Mycobacterium ulcerans beta-lactamase 0.0035 0.0609 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0.0191 0.276
Onchocerca volvulus 0.0016 0.0191 0.3128
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0033 0.0572 0.9391
Leishmania major protein kinase, putative 0.0034 0.0586 0.8493
Leishmania major cytochrome p450-like protein 0.0009 0.0039 0.0563
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0009 0.0039 0.0563
Brugia malayi MH2 domain containing protein 0.0232 0.4854 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0249 0.4086
Brugia malayi Cytochrome P450 family protein 0.0009 0.0039 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0191 0.0849
Onchocerca volvulus 0.0023 0.035 0.5748
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0009 0.0039 0.0083
Trypanosoma cruzi hexose transporter, putative 0.0016 0.0191 0.276
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0596 0.2654
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0033 0.0572 0.2546
Toxoplasma gondii sugar transporter ST3 0.0016 0.0191 0.0288
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.035 0.0749
Trichomonas vaginalis glucose transporter, putative 0.0016 0.0191 0.0849
Toxoplasma gondii sugar transporter ST2 0.0016 0.0191 0.0288
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0249 0.3602
Echinococcus granulosus solute carrier family 22 0.0016 0.0191 0.0849

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
GI50 (functional) -5.065 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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 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 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
GI50 (functional) -4 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 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 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
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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

2 literature references were collected for this gene.

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