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