Detailed information for compound 1351664

Basic information

Technical information
  • TDR Targets ID: 1351664
  • Name: ethyl 4-(benzoyl)-1,5-di(phenyl)pyrazole-3-ca rboxylate
  • MW: 396.438 | Formula: C25H20N2O3
  • H donors: 0 H acceptors: 3 LogP: 5.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1nn(c(c1C(=O)c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C25H20N2O3/c1-2-30-25(29)22-21(24(28)19-14-8-4-9-15-19)23(18-12-6-3-7-13-18)27(26-22)20-16-10-5-11-17-20/h3-17H,2H2,1H3
  • InChiKey: XSIPDRICAYVQRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(oxo-phenylmethyl)-1,5-di(phenyl)-3-pyrazolecarboxylic acid ethyl ester
  • 4-(benzoyl)-1,5-di(phenyl)pyrazole-3-carboxylic acid ethyl ester
  • ethyl 1,5-di(phenyl)-4-phenylcarbonyl-pyrazole-3-carboxylate
  • ZINC01016750
  • MLS000538808
  • SMR000161331
  • ethyl 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylate
  • AO-476/43250001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 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
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0127 0.3002 0.3002
Giardia lamblia ABC transporter, putative 0.0131 0.3121 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Leishmania major p-glycoprotein e 0.0131 0.3121 0.3099
Echinococcus multilocularis ATP binding cassette sub family B 0.0119 0.2763 0.2763
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0367 0.9881 0.9881
Loa Loa (eye worm) hypothetical protein 0.0131 0.3121 0.3121
Giardia lamblia Multidrug resistance-associated protein 1 0.0131 0.3121 1
Echinococcus granulosus multidrug resistance protein 1 0.0371 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0194 0.4922 0.4922
Schistosoma mansoni multidrug resistance protein 0.0131 0.3121 0.3121
Schistosoma mansoni hypothetical protein 0.0041 0.054 0.054
Echinococcus granulosus voltage gated potassium channel 0.003 0.0223 0.0223
Schistosoma mansoni multidrug resistance protein 0.0371 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0115 0.2644 0.2644
Echinococcus multilocularis voltage gated potassium channel 0.003 0.0223 0.0223
Echinococcus granulosus geminin 0.0205 0.5226 0.5226
Echinococcus multilocularis multidrug resistance protein 1 0.0371 1 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0031 0.0031
Schistosoma mansoni multidrug resistance protein 0.0371 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0371 1 1
Entamoeba histolytica P-glycoprotein-2 0.0371 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0031 0.0031
Loa Loa (eye worm) ABC transporter 0.0119 0.2763 0.2763
Echinococcus multilocularis ATP binding cassette sub family B 0.0119 0.2763 0.2763
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0119 0.2763 0.2763
Trichomonas vaginalis ABC transporter, putative 0.0371 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Toxoplasma gondii hypothetical protein 0.0194 0.4922 0.2984
Brugia malayi ABC transporter transmembrane region family protein 0.0119 0.2763 0.2763
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0371 1 0.5
Giardia lamblia MRP-like ABC transporter 0.0131 0.3121 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0371 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.009 0.1948 0.1948
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0031 0.0031
Trichomonas vaginalis ABC transporter, putative 0.0371 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.1628 0.1628
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0119 0.2763 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0131 0.3121 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.054 0.054
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0131 0.3121 0.0494
Schistosoma mansoni multidrug resistance protein 0.0131 0.3121 0.3121
Loa Loa (eye worm) hypothetical protein 0.0131 0.3121 0.3121
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0119 0.2763 0.8843
Schistosoma mansoni multidrug resistance protein 0.0131 0.3121 0.3121
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0131 0.3121 0.3099
Entamoeba histolytica ABC transporter, putative 0.0131 0.3121 0.0647
Trichomonas vaginalis ABC transporter, putative 0.0371 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0131 0.3121 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0131 0.3121 0.3121
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0223 0.0223
Brugia malayi Cytochrome P450 family protein 0.0023 0.0031 0.0031
Loa Loa (eye worm) ABC transporter 0.0119 0.2763 0.2763
Echinococcus granulosus ATP binding cassette sub family B 0.0115 0.2644 0.2644
Echinococcus granulosus potassium voltage gated channel subfamily H 0.009 0.1948 0.1948
Loa Loa (eye worm) ABC transporter 0.0119 0.2763 0.2763
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0119 0.2763 1
Echinococcus multilocularis sodium channel protein 0.0092 0.1989 0.1989
Entamoeba histolytica ATP-binding cassette protein, putative 0.0131 0.3121 0.0647
Echinococcus granulosus multidrug resistance protein 1 0.0257 0.6715 0.6715
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.009 0.1948 0.1948
Trypanosoma brucei p-glycoprotein 0.0131 0.3121 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0119 0.2763 0.2741
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0119 0.2763 0.2741
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Entamoeba histolytica P-glycoprotein-2 0.0371 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0131 0.3121 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.2644 0.2644
Brugia malayi ABC transporter family protein 0.0119 0.2763 0.2763
Entamoeba histolytica ATP-binding cassette protein, putative 0.0131 0.3121 0.0647
Loa Loa (eye worm) hypothetical protein 0.0079 0.1627 0.1627
Echinococcus granulosus multidrug resistance protein 1 0.0371 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0371 1 1
Brugia malayi ABC transporter 0.0115 0.2644 0.2644
Giardia lamblia Multidrug resistance-associated protein 1 0.0127 0.3002 0.7508
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0257 0.6715 0.6715
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0371 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0371 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.003 0.0223 0.0223
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0194 0.4922 0.4922
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0371 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0115 0.2644 0.2644
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0119 0.2763 0.8843
Echinococcus multilocularis ATP binding cassette sub family B 0.0119 0.2763 0.2763
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.2763 0.2763
Echinococcus multilocularis multidrug resistance protein 1 0.0371 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1086 0.1086
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.2171 0.2171
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0119 0.2763 0.8843
Entamoeba histolytica P-glycoprotein-2, putative 0.0371 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0119 0.2763 0.2741
Brugia malayi ABC transporter family protein 0.0371 1 1
Entamoeba histolytica hypothetical protein 0.0131 0.3121 0.0647
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0371 1 1
Loa Loa (eye worm) hypothetical protein 0.0371 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1086 0.1086
Schistosoma mansoni multidrug resistance protein 0.0115 0.2644 0.2644
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0131 0.3121 0.3121
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0371 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0371 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0119 0.2763 0.5
Brugia malayi P-glycoprotein-like protein 0.0119 0.2763 0.2763
Entamoeba histolytica P-glycoprotein 5, putative 0.0371 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0131 0.3121 1
Schistosoma mansoni hypothetical protein 0.0205 0.5226 0.5226
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1086 0.1086
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0371 1 1
Leishmania major ABC-thiol transporter 0.0131 0.3121 0.3099
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Trichomonas vaginalis abcb9, putative 0.0371 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.1049 0.1049
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0119 0.2763 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0131 0.3121 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0119 0.2763 0.5
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0223 0.0223
Echinococcus multilocularis ATP binding cassette sub family B 0.0367 0.9881 0.9881
Loa Loa (eye worm) hypothetical protein 0.0367 0.9881 0.9881
Schistosoma mansoni multidrug resistance protein 0.0371 1 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0194 0.4922 0.4922
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0371 1 1
Schistosoma mansoni multidrug resistance protein 0.0131 0.3121 0.3121
Echinococcus granulosus ATP binding cassette sub family B 0.0119 0.2763 0.2763
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0371 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.003 0.0223 0.0223
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0092 0.1989 0.1989
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0371 1 1
Loa Loa (eye worm) hypothetical protein 0.0371 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0371 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0115 0.2644 0.2644
Brugia malayi ABC transporter transmembrane region family protein 0.0131 0.3121 0.3121
Loa Loa (eye worm) hypothetical protein 0.003 0.0223 0.0223
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0371 1 1
Entamoeba histolytica P-glycoprotein-5 0.0371 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0119 0.2763 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0131 0.3121 0.0647
Schistosoma mansoni hypothetical protein 0.0205 0.5226 0.5226
Echinococcus granulosus sodium channel protein 0.0092 0.1989 0.1989
Entamoeba histolytica P-glycoprotein 6, putative 0.0119 0.2763 0.0161
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0119 0.2763 0.2763
Entamoeba histolytica multidrug resistance protein, putative 0.0131 0.3121 0.0647
Brugia malayi ABC transporter 0.0119 0.2763 0.2763
Loa Loa (eye worm) hypothetical protein 0.0119 0.2763 0.2763
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0371 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0131 0.3121 0.3121
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.009 0.1948 0.1948
Schistosoma mansoni smdr2 0.0371 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0131 0.3121 0.3121
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.4922 0.4922
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0115 0.2644 0.2644
Brugia malayi hypothetical protein 0.0119 0.2763 0.2763
Echinococcus granulosus multidrug resistance protein 1 0.0371 1 1
Trichomonas vaginalis ABC transporter, putative 0.0371 1 1
Echinococcus multilocularis geminin 0.0205 0.5226 0.5226
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.054 0.054
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0371 1 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0119 0.2763 0.2763
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.003 0.0223 0.0223
Trichomonas vaginalis abcb9, putative 0.0371 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0115 0.2644 0.2644
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0119 0.2763 1
Trichomonas vaginalis abcb9, putative 0.0371 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0131 0.3121 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0371 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0371 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0371 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0119 0.2763 0.0161
Trichomonas vaginalis taga, putative 0.0371 1 1
Leishmania major p-glycoprotein 0.0371 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0371 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0131 0.3121 0.3099
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0119 0.2763 0.8843
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0371 1 1
Brugia malayi ABC transporter family protein 0.0119 0.2763 0.2763
Entamoeba histolytica P-glyco protein 6, putative 0.0371 1 1
Onchocerca volvulus 0.0371 1 0.5
Echinococcus multilocularis 0.0119 0.2763 0.2763
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.1628 0.1628
Trypanosoma brucei multidrug resistance protein E 0.0131 0.3121 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0131 0.3121 0.3099
Plasmodium falciparum multidrug resistance protein 1 0.0371 1 1
Brugia malayi ABC transporter family protein 0.0119 0.2763 0.2763
Schistosoma mansoni multidrug resistance protein 0.0119 0.2763 0.2763
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0131 0.3121 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1086 0.1086
Echinococcus granulosus ATP binding cassette sub family B 0.0119 0.2763 0.2763
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0119 0.2763 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.2644 0.2644
Schistosoma mansoni smdr1 0.0119 0.2763 0.2763
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0131 0.3121 0.3099
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.2171 0.2171
Leishmania major pentamidine resistance protein 1 0.0131 0.3121 0.3099
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0131 0.3121 0.3121
Brugia malayi multidrug resistance related protein 1 0.0131 0.3121 0.3121
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0371 1 1
Entamoeba histolytica P-glycoprotein-1 0.0371 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0371 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0371 1 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0092 0.1989 0.1965
Echinococcus multilocularis multidrug resistance protein 1 0.0257 0.6715 0.6715
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0119 0.2763 1
Echinococcus granulosus multidrug resistance protein 1 0.0257 0.6715 0.6715

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-cyp1a2 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM 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) = 10 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) = 15.84893192 uM 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
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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