Detailed information for compound 36794

Basic information

Technical information
  • TDR Targets ID: 36794
  • Name: 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1 -yl]-9-nitro-5-(pyridin-4-ylmethyl)pyrimido[5 ,4-b]indole
  • MW: 529.541 | Formula: C28H25F2N7O2
  • H donors: 0 H acceptors: 5 LogP: 4.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-][N+](=O)c1cccc2c1c1ncnc(c1n2Cc1ccncc1)N1CCN(CC1)CCc1ccc(c(c1)F)F
  • InChi: 1S/C28H25F2N7O2/c29-21-5-4-19(16-22(21)30)8-11-34-12-14-35(15-13-34)28-27-26(32-18-33-28)25-23(2-1-3-24(25)37(38)39)36(27)17-20-6-9-31-10-7-20/h1-7,9-10,16,18H,8,11-15,17H2
  • InChiKey: OKLXZLLQLHWOGW-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-9-nitro-5-(4-pyridylmethyl)pyrimido[5,4-b]indole
  • 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-9-nitro-5-(4-pyridylmethyl)pyrimido[5,4-b]indole
  • 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazino]-9-nitro-5-(4-pyridylmethyl)pyrimido[5,4-b]indole
  • 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-9-nitro-5-(pyridin-4-ylmethyl)pyrimido[5,6-b]indole
  • 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-9-nitro-5-(4-pyridylmethyl)pyrimido[5,6-b]indole
  • 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-9-nitro-5-(4-pyridylmethyl)pyrimido[5,6-b]indole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus ATP-binding cassette, sub-family B (MDR/TAP), member 1A Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens ATP-binding cassette, sub-family C (CFTR/MRP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica P-glycoprotein 5, 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Plasmodium berghei multidrug resistance protein 1, 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
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi multidrug resistance related protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei gambiense multidrug resistance protein E,p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica P-glyco protein 6, 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 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
Leishmania infantum p-glycoprotein 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 mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ko:K05674 ATP-binding cassette, subfamily C (CFTR/MRP), member 10, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance protein 1 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
Entamoeba histolytica P-glycoprotein-5 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_126561 All targets in OG5_126561
Giardia lamblia MRP-like ABC transporter Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma cruzi multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 4 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei multidrug resistance protein E Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ATP-binding cassette transporter, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ko:K05667 ATP-binding cassette, subfamily C (CFTR/MRP), member 3, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette protein Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis abcb9, 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
Toxoplasma gondii ABC transporter transmembrane region domain-containing 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance associated protein 4 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma congolense multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum 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
Trypanosoma cruzi multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi ABC transporter family 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Babesia bovis ABC transporter, ATP-binding protein domain containing protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 6, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani cytochrome p450-like protein 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
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
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) hypothetical 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
Leishmania major ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance-associated protein 7, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis p-glycoprotein e, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica multidrug resistance protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 5, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
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
Leishmania infantum pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance protein 1, 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 ATP-binding cassette transporter, 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
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma congolense 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
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis SI:dZ52I16.4 (novel ABC transporter similar to human multidrug-resistance proteins (MRP)) Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania donovani pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma congolense multidrug resistance protein A Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ATP-binding cassette 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
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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
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
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter transmembrane region family protein Get druggable targets OG5_126561 All targets in OG5_126561
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_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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 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 abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Trypanosoma brucei multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) ABC transporter transmembrane region family protein Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) multidrug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance protein 3, 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 mexicana multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Canalicular multispecific organic anion transporter 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein 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 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
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei gambiense multidrug resistance-associated protein, putative,p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Leishmania mexicana 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 7 Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma cruzi cytochrome P450, putative 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
Loa Loa (eye worm) multidrug resistance protein 3 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
Leishmania mexicana multidrug resistance protein, copy 1-like protein Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi multidrug resistance protein E, putative Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus 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_126561 All targets in OG5_126561
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana p-glycoprotein e, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Cryptosporidium parvum ABC ATpase (2 ABC domains) with 10 transmembrane domains, adjacent duplicated gene Get druggable targets OG5_126561 All targets in OG5_126561
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance associated protein 7 Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
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
Trichomonas vaginalis ABC transporter, half 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major pentamidine resistance protein 1 0.0021 1 1
Leishmania major p-glycoprotein e 0.0021 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0017 0.6347 0.2961
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0021 1 1
Entamoeba histolytica ABC transporter, putative 0.0021 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0021 1 1
Trypanosoma brucei p-glycoprotein 0.0021 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Entamoeba histolytica hypothetical protein 0.0021 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0021 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.6347 0.6347
Trichomonas vaginalis taga, putative 0.0017 0.6347 1
Trichomonas vaginalis abcb9, putative 0.0017 0.6347 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.6347 0.6347
Loa Loa (eye worm) hypothetical protein 0.0017 0.6347 0.5809
Giardia lamblia MRP-like ABC transporter 0.0021 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Echinococcus multilocularis multidrug resistance associated protein 4 0.0013 0.3424 0.3424
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 1 1
Trichomonas vaginalis abcb9, putative 0.0017 0.6347 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.6347 0.6347
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.6347 0.6347
Schistosoma mansoni multidrug resistance protein 0.0021 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.6347 0.6347
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.481 0.2107
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.6347 0.6347
Loa Loa (eye worm) multidrug resistance protein 3 0.0017 0.6347 0.5809
Brugia malayi multidrug resistance related protein 1 0.0021 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0017 0.6347 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0021 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.481 0.4046
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.6347 0.6347
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0021 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0017 0.6347 0.5809
Echinococcus multilocularis multidrug resistance associated protein 1 0.0021 1 1
Schistosoma mansoni multidrug resistance protein 0.0021 1 1
Trichomonas vaginalis ABC transporter, putative 0.0017 0.6347 1
Onchocerca volvulus 0.0017 0.6347 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.6347 0.6347
Echinococcus granulosus multidrug resistance associated protein 1 0.0021 1 1
Trichomonas vaginalis ABC transporter, putative 0.0017 0.6347 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0021 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.6347 0.5809
Giardia lamblia Multidrug resistance-associated protein 1 0.0021 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0016 0.6117 0.6117
Loa Loa (eye worm) hypothetical protein 0.0016 0.6117 0.5546
Trichomonas vaginalis ABC transporter, putative 0.0017 0.6347 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0021 1 1
Brugia malayi multidrug resistance protein 3 0.0017 0.6347 0.2961
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Giardia lamblia ABC transporter, putative 0.0021 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0017 0.6347 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0021 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.481 0.4046
Leishmania major ABC-thiol transporter 0.0021 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.481 0.5
Trypanosoma cruzi multidrug resistance protein E, putative 0.0021 1 1
Loa Loa (eye worm) multidrug resistance-associated protein 0.0013 0.3653 0.272
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0017 0.6347 1
Echinococcus multilocularis multidrug resistance protein 1 0.0017 0.6347 0.6347
Echinococcus multilocularis multidrug resistance associated protein 7 0.0021 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0017 0.6347 1
Brugia malayi ABC transporter family protein 0.0017 0.6347 0.2961
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0017 0.6347 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0017 0.6347 1
Echinococcus granulosus multidrug resistance associated protein 4 0.0013 0.3424 0.3424
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0021 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.6347 0.6347
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 1 1
Trichomonas vaginalis abcb9, putative 0.0017 0.6347 1
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.481 0.2107
Trichomonas vaginalis ABC transporter, putative 0.0017 0.6347 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0021 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0017 0.6347 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0021 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0017 0.6347 0.6347
Loa Loa (eye worm) CYP4Cod1 0.0015 0.481 0.4046
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Leishmania major p-glycoprotein 0.0017 0.6347 0.2961
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0017 0.6347 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0016 0.6117 0.6117
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0017 0.6347 1
Plasmodium falciparum multidrug resistance protein 1 0.0017 0.6347 0.5
Trypanosoma brucei multidrug resistance protein E 0.0021 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Schistosoma mansoni multidrug resistance protein 0.0021 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0017 0.6347 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.9771 0.9737
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0017 0.6347 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0021 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.6347 1
Schistosoma mansoni multidrug resistance protein 0.0021 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.6347 0.6347
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.6347 0.6347
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.6347 0.6347

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0137 uM Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay ChEMBL. 14998324
IC50 (binding) = 0.0137 uM Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay ChEMBL. 14998324
IC50 (binding) = 0.08 uM In vitro inhibitory activity of the compound against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay ChEMBL. 14998324
IC50 (binding) = 0.08 uM In vitro inhibitory activity of the compound against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay ChEMBL. 14998324
IC50 (binding) = 0.236 uM Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay ChEMBL. 14998324
IC50 (binding) = 0.236 uM Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay ChEMBL. 14998324
IC50 (binding) < 0.25 uM Inhibitory concentration against multidrug resistance associated protein 1 ChEMBL. 16168641
IC50 (binding) < 0.25 uM Inhibitory concentration against multidrug resistance associated protein 1 ChEMBL. 16168641
IC50 (ADMET) = 5.78 uM Inhibitory activity against cytochrome P450 3A4 ChEMBL. 14998324
IC50 (ADMET) = 5.78 uM Inhibitory activity against cytochrome P450 3A4 ChEMBL. 14998324
IC50 (binding) = 6.14 uM In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay ChEMBL. 14998324
IC50 (binding) = 6.14 uM In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay ChEMBL. 14998324

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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