Detailed information for compound 1461672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2745.3 | Formula: C126H222N32O35
  • H donors: 35 H acceptors: 35 LogP: -8.94 Rotable bonds: 128
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CC(C)C)CCCCN)CCC(=O)N)CCCCN)CC(C)C)C)CCC(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)C)CC(C)C)CC(=O)O)CCC(=O)O)CCCCCCC)CCCNC(=N)N)CCC(=O)O)CCCCN)CC(C)C)CC(=O)N)CCC(=O)O
  • InChi: 1S/C126H222N32O35/c1-17-19-21-23-25-38-77(139-116(184)87(49-54-101(168)169)149-123(191)94(67-102(170)171)155-121(189)92(65-72(11)12)156-125(193)103(73(13)14)157-124(192)95-44-36-60-158(95)75(16)159)107(175)143-82(43-35-59-136-126(134)135)109(177)146-85(47-52-99(164)165)114(182)142-81(42-30-34-58-130)112(180)153-91(64-71(9)10)120(188)154-93(66-97(132)161)122(190)148-86(48-53-100(166)167)115(183)140-78(39-26-24-22-20-18-2)110(178)152-90(63-70(7)8)119(187)147-84(46-51-98(162)163)106(174)137-74(15)105(173)150-88(61-68(3)4)118(186)144-79(40-28-32-56-128)108(176)145-83(45-50-96(131)160)113(181)141-80(41-29-33-57-129)111(179)151-89(62-69(5)6)117(185)138-76(104(133)172)37-27-31-55-127/h68-74,76-95,103H,17-67,127-130H2,1-16H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,185)(H,139,184)(H,140,183)(H,141,181)(H,142,182)(H,143,175)(H,144,186)(H,145,176)(H,146,177)(H,147,187)(H,148,190)(H,149,191)(H,150,173)(H,151,179)(H,152,178)(H,153,180)(H,154,188)(H,155,189)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
  • InChiKey: ZIROFXLYGMYGTF-SYJORPPISA-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
Mus musculus ATP-binding cassette, sub-family A (ABC1), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) RIM ABC transporter Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium ulcerans daunorubicin-DIM-transport ATP-binding protein ABC transporter DrrA Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium leprae Possible unidentified antibiotic-transport ATP-binding protein ABC transporter Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ATP-binding cassette transporter ABCA1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca9, putative Get druggable targets OG5_126568 All targets in OG5_126568
Echinococcus granulosus ATP binding cassette sub family A Get druggable targets OG5_126568 All targets in OG5_126568
Giardia lamblia ABC transporter family protein Get druggable targets OG5_126568 All targets in OG5_126568
Onchocerca volvulus Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca4, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis metal ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 7, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma brucei ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma congolense ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca8, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 3, putative Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma mansoni ATP-binding cassette transporter Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma brucei ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca5, putative Get druggable targets OG5_126568 All targets in OG5_126568
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 8, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium ulcerans antibiotic ABC transporter ATP-binding protein Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma japonicum ko:K05313 glutamate receptor, ionotropic, invertebrate, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma brucei ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette subfamily A, member 1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 10, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca7, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis Phosphonates import ATP-binding protein phnC, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Treponema pallidum ABC transporter, ATP-binding protein (natA) Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma congolense ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca12, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 10, putative,ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 4, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 9, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 7, putative Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) RIM ABC transporter Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ATP-binding cassette protein subfamily A, member 9, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ATP-binding cassette protein subfamily A, member 2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium tuberculosis Probable unidentified antibiotic-transport ATP-binding protein ABC transporter Get druggable targets OG5_126568 All targets in OG5_126568
Brugia malayi ABC transporter family protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC1 transporter-like protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma brucei gambiense ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma japonicum ko:K05641 ATP-binding cassette, subfamily A (ABC1), member 1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Echinococcus multilocularis ATP binding cassette sub family A Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca12, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 5, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ATP-binding cassette protein subfamily A, member 4, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma brucei gambiense ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 10, putative,ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 5, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ABC transporter-like protein Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium tuberculosis Daunorubicin-dim-transport ATP-binding protein ABC transporter DrrA Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC1 transporter-like protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca4, putative Get druggable targets OG5_126568 All targets in OG5_126568
Onchocerca volvulus Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Giardia lamblia ABC transporter family protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium ulcerans ABC transporter ATP-binding protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium tuberculosis Antibiotic-transport ATP-binding protein ABC transporter Get druggable targets OG5_126568 All targets in OG5_126568
Giardia lamblia ATP-binding cassette protein 5 Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 9, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 3, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ATP binding cassete (ABC) transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 4, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca10, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania infantum ATP-binding cassette protein subfamily A, member 8, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ATP-binding cassette transporter ABCA1, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma japonicum ATP-binding cassette sub-family A member 7, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania donovani ATP-binding cassette protein subfamily A, member 9, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 6, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Giardia lamblia ABC transporter family protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania major ATP-binding cassette protein subfamily A, member 5, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ATP binding cassete (ABC) transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Schistosoma japonicum Retinal-specific ATP-binding cassette transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium leprae PROBABLE DAUNORUBICIN-DIM-TRANSPORT ATP-BINDING PROTEIN ABC TRANSPORTER DRRA Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Brugia malayi ABC transporter family protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Mycobacterium ulcerans ABC transporter ATP-binding protein Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trypanosoma congolense ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania mexicana ABC1 transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca2, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126568 All targets in OG5_126568
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126568 All targets in OG5_126568
Trichomonas vaginalis abca5, putative Get druggable targets OG5_126568 All targets in OG5_126568
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
Trichomonas vaginalis abca9, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis abca6, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis conserved hypothetical protein 0.0001 0.1335 0.1335
Trichomonas vaginalis abca6, putative 0.0002 1 1
Giardia lamblia ATP-binding cassette protein 5 0.0002 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0002 1 1
Trypanosoma cruzi ABC transporter, putative 0.0002 1 1
Leishmania major ATP-binding cassette protein subfamily A, member 3, putative 0.0002 1 0.5
Schistosoma mansoni ATP-binding cassette transporter 0.0002 1 0.5
Leishmania major ATP-binding cassette subfamily A, member 1, putative 0.0002 1 0.5
Leishmania major ATP-binding cassette protein subfamily A, member 9, putative 0.0002 1 0.5
Mycobacterium ulcerans ABC transporter ATP-binding protein 0.0001 0.1335 0.5
Brugia malayi ABC transporter family protein 0.0002 1 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Leishmania major ATP-binding cassette protein subfamily A, member 4, putative 0.0002 1 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Leishmania major ATP-binding cassette protein subfamily A, member 10, putative,ABC transporter, putative 0.0002 1 0.5
Entamoeba histolytica ABC transporter, putative 0.0002 1 0.5
Trichomonas vaginalis Phosphonates import ATP-binding protein phnC, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca12, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca12, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trypanosoma cruzi ATP-binding cassette transporter ABCA1, putative 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trypanosoma cruzi ATP-binding cassette transporter ABCA1, putative 0.0002 1 1
Leishmania major ATP-binding cassette protein subfamily A, member 6, putative 0.0002 1 0.5
Mycobacterium tuberculosis Daunorubicin-dim-transport ATP-binding protein ABC transporter DrrA 0.0001 0.1335 0.5
Onchocerca volvulus 0.0002 1 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca2, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca2, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis abca8, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca1, putative 0.0002 1 1
Giardia lamblia ABC transporter family protein 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Entamoeba histolytica ABC transporter, putative 0.0002 1 0.5
Giardia lamblia ABC transporter family protein 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Echinococcus multilocularis ATP binding cassette sub family A 0.0002 1 0.5
Mycobacterium ulcerans ABC transporter ATP-binding protein 0.0001 0.1335 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Mycobacterium leprae Possible unidentified antibiotic-transport ATP-binding protein ABC transporter 0.0001 0.1335 0.5
Echinococcus granulosus ATP binding cassette sub family A 0.0002 1 0.5
Leishmania major ATP-binding cassette protein subfamily A, member 8, putative 0.0002 1 0.5
Mycobacterium ulcerans daunorubicin-DIM-transport ATP-binding protein ABC transporter DrrA 0.0001 0.1335 0.5
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis abca6, putative 0.0002 1 1
Trypanosoma brucei ABC transporter, putative 0.0002 1 0.5
Schistosoma mansoni hypothetical protein 0.0002 1 0.5
Leishmania major ATP-binding cassette protein subfamily A, member 7, putative 0.0002 1 0.5
Trichomonas vaginalis abca5, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis abca5, putative 0.0001 0.1335 0.1335
Treponema pallidum ABC transporter, ATP-binding protein (natA) 0.0001 0.1335 0.5
Trichomonas vaginalis metal ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Leishmania major ATP-binding cassette protein subfamily A, member 5, putative 0.0002 1 0.5
Trypanosoma brucei ABC transporter, putative 0.0002 1 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trypanosoma cruzi ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis abca10, putative 0.0001 0.1335 0.1335
Trypanosoma cruzi ABC transporter, putative 0.0002 1 1
Giardia lamblia ABC transporter family protein 0.0002 1 1
Trichomonas vaginalis ATP binding cassete (ABC) transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Mycobacterium ulcerans antibiotic ABC transporter ATP-binding protein 0.0001 0.1335 0.5
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trypanosoma cruzi ABC transporter, putative 0.0002 1 1
Trypanosoma cruzi ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis abca1, putative 0.0002 1 1
Trichomonas vaginalis abca7, putative 0.0001 0.1335 0.1335
Mycobacterium tuberculosis Antibiotic-transport ATP-binding protein ABC transporter 0.0001 0.1335 0.5
Trichomonas vaginalis ABC transporter, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis conserved hypothetical protein 0.0001 0.1335 0.1335
Onchocerca volvulus 0.0002 1 0.5
Trichomonas vaginalis abca4, putative 0.0002 1 1
Trichomonas vaginalis abca2, putative 0.0002 1 1
Mycobacterium leprae PROBABLE DAUNORUBICIN-DIM-TRANSPORT ATP-BINDING PROTEIN ABC TRANSPORTER DRRA 0.0001 0.1335 0.5
Trichomonas vaginalis abca4, putative 0.0001 0.1335 0.1335
Trichomonas vaginalis ABC transporter, putative 0.0002 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0001 0.1335 0.1335
Leishmania major ATP-binding cassette protein subfamily A, member 2, putative 0.0002 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Cp (ADMET) = 137 uM Plasma concentration in C57/BL6 mouse at 60 mg/kg, sc after 3 hrs ChEMBL. 21115285
EC50 (binding) = 0.3 uM Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs ChEMBL. 21115285
IC50 (functional) = 44 uM Inhibition of Lipoprotein lipase in C57/BL6 mouse at 60 mg/kg, sc after 3 hrs ChEMBL. 21115285

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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