Detailed information for compound 437365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 626.691 | Formula: C34H42O11
  • H donors: 1 H acceptors: 5 LogP: 5.03 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@]([C@@]23[C@]1(C)[C@@H](OC(=O)c1ccco1)C[C@H]([C@H]3OC(=O)C(C)(C)C)C(O2)(C)C)(C)O
  • InChi: 1S/C34H42O11/c1-19(35)41-26-23(42-27(36)20-13-10-9-11-14-20)18-32(7,39)34-25(44-29(38)30(2,3)4)21(31(5,6)45-34)17-24(33(26,34)8)43-28(37)22-15-12-16-40-22/h9-16,21,23-26,39H,17-18H2,1-8H3/t21-,23+,24+,25-,26+,32-,33-,34+/m1/s1
  • InChiKey: WNXMTDUOZWCBKX-WRXBARQZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
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
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0624 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.007 1 0.5
Schistosoma mansoni multidrug resistance protein 0.0013 0.0624 0.0271
Leishmania major cytochrome p450-like protein 0.007 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0624 0.0624
Schistosoma mansoni hypothetical protein 0.007 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.007 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3063 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.007 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.007 1 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0624 1
Brugia malayi hypothetical protein 0.0028 0.3063 0.2802
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0364 0.0364
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0578 0.0578
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0364 0.0364
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0624 0.0624
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.007 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.6735 0.6612
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.007 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.007 1 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0624 1
Trichomonas vaginalis taga, putative 0.0013 0.0624 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.3063 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.6735 0.6735
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0624 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.007 1 1
Leishmania major cytochrome p450-like protein 0.007 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0624 0.0624
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.007 1 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0624 0.0624
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0624 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.6735 0.6612
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.6735 0.6612
Toxoplasma gondii cytochrome p450 superfamily protein 0.007 1 1
Schistosoma mansoni cytochrome P450 0.007 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0364 0.0364
Brugia malayi Cytochrome P450 family protein 0.007 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.007 1 0.5
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.007 1 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0624 0.0624
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.007 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0624 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.007 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.007 1 1
Brugia malayi hypothetical protein 0.0018 0.1466 0.1144
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.007 1 0.5
Brugia malayi Cytochrome P450 family protein 0.007 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Brugia malayi ABC transporter family protein 0.0013 0.0624 0.0271
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0364 0.0364
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0624 0.0624
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0624 1
Onchocerca volvulus 0.0013 0.0624 1
Loa Loa (eye worm) cytochrome P450 family protein 0.007 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0624 1
Loa Loa (eye worm) cytochrome P450 0.007 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0624 0.0624
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0624 0.0624
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0624 0.0271
Echinococcus granulosus cytochrome P450 2K1 0.007 1 1
Schistosoma mansoni smdr2 0.0013 0.0624 0.0271
Trypanosoma cruzi cytochrome p450-like protein, putative 0.007 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0624 0.0624
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.007 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0364 0.0364
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0624 0.0271
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.007 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.007 1 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0624 1
Mycobacterium leprae putative cytochrome p450 0.007 1 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.007 1 0.5
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0624 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.007 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0624 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Brugia malayi multidrug resistance protein 3 0.0013 0.0624 0.0271
Loa Loa (eye worm) hypothetical protein 0.0013 0.0624 0.0271
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.007 1 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0578 0.0578
Leishmania major hypothetical protein, conserved 0.0028 0.3063 0.2601
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.3063 0.2802
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0602 0.0602
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.007 1 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.007 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.007 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0624 0.0624
Brugia malayi Cytochrome P450 family protein 0.007 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0602 0.0602
Loa Loa (eye worm) CYP4Cod1 0.007 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0624 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.007 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.007 1 1
Echinococcus multilocularis 0.007 1 1
Schistosoma mansoni hypothetical protein 0.0012 0.0578 0.0222
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.007 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.6735 0.6735
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.6735 0.6735
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0364 0.0364
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.6735 0.6612
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.007 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.007 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0624 0.0624
Mycobacterium leprae Conserved hypothetical protein 0.007 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.6735 0.6735
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0624 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.007 1 1
Brugia malayi cytochrome P450 0.007 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0624 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0624 0.0624
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.007 1 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.007 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0364 0.0364
Leishmania major cytochrome p450-like protein 0.007 1 1
Trypanosoma brucei cytochrome P450, putative 0.007 1 1
Trypanosoma cruzi cytochrome P450, putative 0.007 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3063 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0624 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0364 0.0364
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.007 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.3063 0.2601
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0624 0.0624
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.007 1 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0624 0.0624
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.007 1 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.007 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0364 0.0364
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0624 1
Trypanosoma cruzi cytochrome P450, putative 0.007 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0624 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.007 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.007 1 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.007 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.6735 0.6612
Schistosoma mansoni multidrug resistance protein 0.0013 0.0624 0.0271
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0364 0.0364
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.007 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.007 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.007 1 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.007 1 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0364 0.0364
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0013 0.0624 0.5
Trichomonas vaginalis abcb9, putative 0.0013 0.0624 1
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0624 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0624 0.0271
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0624 1
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0624 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0602 0.0247
Schistosoma mansoni multidrug resistance protein 0.0013 0.0624 0.0271
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0364 0.0364
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.007 1 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.007 1 1

Activities

Activity type Activity value Assay description Source Reference
Imax (binding) = 90 % Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
Imax (binding) = 90 % Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
Ki (binding) = -5.98 Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
Ki (binding) = 1.04 uM Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
Ki (binding) = 1.04 uM Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
Log Ki (binding) = 5.98 Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay ChEMBL. 17850057
LogP = 7.3 Partition coefficient, log P of the compound ChEMBL. 17850057

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

1 literature reference was collected for this gene.

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