Detailed information for compound 36001

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 526.601 | Formula: C26H28F2N6O2S
  • H donors: 1 H acceptors: 4 LogP: 3.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1F)CCN1CCN(CC1)c1[nH]cnc2c1nc1c2cc(cc1)S(=O)(=O)N1CCCC1
  • InChi: 1S/C26H28F2N6O2S/c27-21-5-3-18(15-22(21)28)7-10-32-11-13-33(14-12-32)26-25-24(29-17-30-26)20-16-19(4-6-23(20)31-25)37(35,36)34-8-1-2-9-34/h3-6,15-17H,1-2,7-14H2,(H,29,30)
  • InChiKey: LKJBDWAXWZHOCI-UHFFFAOYSA-N  


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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 C (CFTR/MRP), member 1 Starlite/ChEMBL References
Mus musculus ATP-binding cassette, sub-family B (MDR/TAP), member 1A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi multidrug resistance related protein 1 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 braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Giardia lamblia MRP-like ABC transporter 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Cryptosporidium parvum ATP-binding cassette protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance protein 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
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
Leishmania infantum ATP-binding cassette protein subfamily C, member 1, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis ABC-thiol transporter 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 multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Entamoeba histolytica P-glycoprotein-2, 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
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 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
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
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma brucei p-glycoprotein 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
Cryptosporidium parvum ATP-binding cassette transporter 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 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
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Schistosoma japonicum Multidrug resistance protein 1, 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
Schistosoma japonicum Multidrug resistance-associated protein 1, 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
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
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
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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, 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 hypothetical 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
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Giardia lamblia ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus 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
Trichomonas vaginalis ATP-binding cassette transporter, putative 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana ABC-thiol transporter 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
Brugia malayi ABC transporter transmembrane region family 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
Echinococcus multilocularis ATP binding cassette sub family B 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
Cryptosporidium parvum ABC ATpase (2 ABC domains) with 10 transmembrane domains, adjacent duplicated gene 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
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 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 ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Babesia bovis ABC transporter family protein 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
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
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana p-glycoprotein 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 ATP-binding cassette transporter, putative 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
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 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
Theileria parva ABC transporter, putative 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
Trypanosoma cruzi multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Bile salt export pump, 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
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi multidrug resistance-associated 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
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance associated protein 1 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi hypothetical protein 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 mexicana p-glycoprotein-like protein 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
Giardia lamblia Multidrug resistance-associated protein 1 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
Echinococcus multilocularis multidrug resistance protein 1 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
Trichomonas vaginalis ABC transporter, 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 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
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein 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
Entamoeba histolytica ATP-binding cassette protein, putative 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
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance 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
Loa Loa (eye worm) ABC transporter transmembrane region family protein 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Plasmodium vivax multidrug resistance protein 1, 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 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
Plasmodium knowlesi multidrug resistance protein 1, 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
Schistosoma japonicum Multidrug resistance-associated protein 4, putative 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
Trypanosoma brucei multidrug resistance-associated protein, putative 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 mexicana multidrug resistance protein, copy 1-like protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ATP-binding cassette sub-family B member 5, 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
Echinococcus granulosus multidrug resistance protein 1 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_126596 All targets in OG5_126596
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 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_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 lipid A export ATP-binding/permease protein msba, 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
Schistosoma japonicum Multidrug resistance-associated protein 7, putative 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
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 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
Echinococcus granulosus 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
Leishmania braziliensis p-glycoprotein e, putative Get druggable targets OG5_126561 All targets in OG5_126561
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily C, member 6, 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
Trypanosoma brucei gambiense multidrug resistance-associated protein, putative,p-glycoprotein 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
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
Leishmania infantum p-glycoprotein 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
Entamoeba histolytica P-glycoprotein-1 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
Plasmodium berghei 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
Schistosoma japonicum Multidrug resistance-associated protein 4, 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 donovani p-glycoprotein 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
Leishmania infantum pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trichomonas vaginalis ABC transporter, half transporter, 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
Loa Loa (eye worm) multidrug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) multidrug resistance protein 3 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
Echinococcus multilocularis multidrug resistance associated protein 4 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 pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major p-glycoprotein 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Neospora caninum hypothetical protein 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
Echinococcus granulosus multidrug resistance protein 1 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 associated protein 4 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
Babesia bovis ABC transporter family protein 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
Trypanosoma cruzi multidrug resistance protein E, 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
Leishmania donovani pentamidine resistance 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
Echinococcus granulosus multidrug resistance protein 1 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
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily C, member 5, putative 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
Leishmania infantum p-glycoprotein e 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
Schistosoma mansoni multidrug resistance protein 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
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 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
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
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 dipeptidyl-peptidase, putative 0.0103 0.021 0.5
Toxoplasma gondii kringle domain-containing protein 0.091 0.2745 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.091 0.2745 1
Echinococcus multilocularis prolyl endopeptidase 0.0744 0.2226 0.8108
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0744 0.2226 0.2226
Brugia malayi Trypsin family protein 0.3204 0.995 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0103 0.021 0.5
Echinococcus granulosus enteropeptidase 0.0345 0.0971 0.3535
Brugia malayi hypothetical protein 0.0089 0.0167 0.0168
Echinococcus multilocularis transmembrane protease serine 3 0.0345 0.0971 0.3535
Trypanosoma brucei prolyl oligopeptidase, putative 0.0313 0.087 0.3271
Echinococcus granulosus glycoprotein Antigen 5 0.0345 0.0971 0.3535
Mycobacterium ulcerans hypothetical protein 0.0345 0.0971 1
Schistosoma mansoni hypothetical protein 0.091 0.2745 0.2745
Echinococcus granulosus Mastin 0.0345 0.0971 0.3535
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.021 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0103 0.021 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0192 0.049 0.1102
Loa Loa (eye worm) hypothetical protein 0.0744 0.2226 0.2237
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Brugia malayi SEA domain containing protein 0.0043 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0043 0.0023 0.0023
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0313 0.087 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0744 0.2226 0.2226
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Entamoeba histolytica prolyl oligopeptidase family protein 0.0103 0.021 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0345 0.0971 0.0976
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Brugia malayi Protein kinase domain containing protein 0.091 0.2745 0.2759
Echinococcus granulosus tissue type plasminogen activator 0.091 0.2745 1
Onchocerca volvulus 0.0345 0.0971 0.0976
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0192 0.049 0.1102
Onchocerca volvulus 0.2859 0.8868 0.8912
Loa Loa (eye worm) hypothetical protein 0.3204 0.995 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.021 0.0211
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0036 0.0001 0.0001
Toxoplasma gondii prolyl endopeptidase 0.0744 0.2226 0.7951
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0353 0.0996 0.0995
Echinococcus multilocularis Mastin 0.0345 0.0971 0.3535
Onchocerca volvulus 0.0043 0.0023 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0345 0.0971 0.097
Entamoeba histolytica prolyl oligopeptidase family protein 0.0103 0.021 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.091 0.2745 1
Loa Loa (eye worm) hypothetical protein 0.0345 0.0971 0.0976
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Brugia malayi prolyl oligopeptidase family protein 0.0192 0.049 0.0492
Loa Loa (eye worm) DOMON domain-containing protein 0.0043 0.0023 0.0023
Loa Loa (eye worm) prolyl oligopeptidase 0.0421 0.1211 0.1217
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0421 0.1211 0.4412
Loa Loa (eye worm) hypothetical protein 0.0345 0.0971 0.0976
Onchocerca volvulus 0.3204 0.995 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0103 0.021 0.021
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0313 0.087 0.2601
Brugia malayi Muscle positioning protein 4 0.0062 0.0083 0.0084
Loa Loa (eye worm) trypsin family protein 0.0345 0.0971 0.0976
Onchocerca volvulus 0.091 0.2745 0.2759
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0345 0.0971 0.3535
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0192 0.049 0.0489
Echinococcus multilocularis enteropeptidase 0.0345 0.0971 0.3535
Brugia malayi prolyl oligopeptidase family protein 0.0744 0.2226 0.2237
Brugia malayi Trypsin family protein 0.0345 0.0971 0.0976
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3204 0.995 0.995
Brugia malayi prolyl oligopeptidase family protein 0.0421 0.1211 0.1217
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0192 0.049 0.1386
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0345 0.0971 0.097
Giardia lamblia Alanyl dipeptidyl peptidase 0.0103 0.021 0.5
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0744 0.2226 0.7698
Leishmania major hypothetical protein, conserved 0.091 0.2745 1
Loa Loa (eye worm) hypothetical protein 0.091 0.2745 0.2759
Echinococcus multilocularis acylamino acid releasing enzyme 0.0103 0.021 0.0765
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0345 0.0971 0.3535
Loa Loa (eye worm) hypothetical protein 0.0345 0.0971 0.0976
Echinococcus granulosus transmembrane protease serine 3 0.0345 0.0971 0.3535
Onchocerca volvulus 0.0043 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0345 0.0971 0.097
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0313 0.087 0.1684
Brugia malayi Trypsin family protein 0.0345 0.0971 0.0976
Loa Loa (eye worm) TK/ROR protein kinase 0.091 0.2745 0.2759
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0071 0.011 0.0109
Schistosoma mansoni hypothetical protein 0.0345 0.0971 0.097
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0345 0.0971 0.3535
Onchocerca volvulus 0.0345 0.0971 0.0976
Loa Loa (eye worm) hypothetical protein 0.0036 0.0001 0.0001
Echinococcus granulosus Dipeptidyl peptidase 9 0.0192 0.049 0.1782
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0421 0.1211 0.4412
Echinococcus granulosus prolyl endopeptidase 0.0744 0.2226 0.8108
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0192 0.049 0.1386
Onchocerca volvulus 0.0043 0.0023 0.0023
Trypanosoma cruzi oligopeptidase b 0.0313 0.087 0.2601
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0345 0.0971 0.097
Echinococcus multilocularis glycoprotein Antigen 5 0.0345 0.0971 0.3535
Brugia malayi prolyl oligopeptidase family protein 0.0103 0.021 0.0211
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0313 0.087 0.2601
Loa Loa (eye worm) hypothetical protein 0.0345 0.0971 0.0976
Giardia lamblia Alanyl dipeptidyl peptidase 0.0103 0.021 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0083 0.0084
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Brugia malayi Trypsin-like protease protein 5 0.0345 0.0971 0.0976
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0192 0.049 0.1782
Loa Loa (eye worm) hypothetical protein 0.0345 0.0971 0.0976
Plasmodium falciparum cysteine repeat modular protein 1 0.091 0.2745 1
Brugia malayi Trypsin family protein 0.0345 0.0971 0.0976
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0345 0.0971 0.3535
Entamoeba histolytica hypothetical protein, conserved 0.0103 0.021 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0192 0.049 0.1102
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0345 0.0971 0.097
Trypanosoma cruzi prolyl endopeptidase 0.0744 0.2226 0.7951
Loa Loa (eye worm) hypothetical protein 0.0044 0.0025 0.0025
Onchocerca volvulus 0.0345 0.0971 0.0976
Brugia malayi hypothetical protein 0.0345 0.0971 0.0976
Onchocerca volvulus 0.0062 0.0083 0.0084
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0421 0.1211 0.1217
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0103 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.3204 0.995 1
Brugia malayi Kringle domain containing protein 0.091 0.2745 0.2759
Onchocerca volvulus Prolyl endopeptidase homolog 0.0744 0.2226 0.2237
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Onchocerca volvulus 0.0345 0.0971 0.0976
Leishmania major oligopeptidase b 0.0313 0.087 0.1684
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0421 0.1211 0.1211
Schistosoma mansoni hypothetical protein 0.0043 0.0023 0.0022
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0103 0.021 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0103 0.021 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0313 0.087 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0103 0.021 0.0211
Trypanosoma cruzi oligopeptidase b 0.0313 0.087 0.2601
Loa Loa (eye worm) hypothetical protein 0.0089 0.0167 0.0168
Onchocerca volvulus 0.0345 0.0971 0.0976
Echinococcus granulosus acylamino acid releasing enzyme 0.0103 0.021 0.0765
Loa Loa (eye worm) hypothetical protein 0.0103 0.021 0.0211
Onchocerca volvulus 0.0043 0.0023 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Loa Loa (eye worm) prolyl oligopeptidase 0.0103 0.021 0.0211
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0642 0.1904 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0345 0.0971 0.097
Schistosoma mansoni cercarial elastase (S01 family) 0.0345 0.0971 0.097
Trypanosoma brucei oligopeptidase b 0.0313 0.087 0.3271
Trypanosoma brucei prolyl endopeptidase 0.0744 0.2226 1
Echinococcus multilocularis tissue type plasminogen activator 0.091 0.2745 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) uM Inhibition of cytochrome P450 3A4 of human liver microsomes ChEMBL. 14998324
IC50 (binding) 0 uM Inhibitory activity of the compound against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay; nd = not determined ChEMBL. 14998324
IC50 (ADMET) ND 0 uM Inhibition of cytochrome P450 3A4 of human liver microsomes ChEMBL. 14998324
IC50 (binding) = 0.235 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) = 0.235 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) < 0.25 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 (binding) = 0.542 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) = 0.542 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) = 3.31 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) = 3.31 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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