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Ligand

NameCHEMBL405289
Molecular formulaC40H53N9O6
IUPAC name(1R,8S,11R,17S,20R,23S)-23-butyl-11-(1H-imidazol-5-ylmethyl)-20-(1H-indol-3-ylmethyl)-3,10,13,19,22,25-hexazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Molecular weight755.921
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.0
SynonymsBDBM50001310
13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)-(6aR,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone
Inchi KeyFWBXLUTVLNUHQO-QYVXQROWSA-N
Inchi IDInChI=1S/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1
PubChem CID10395321
ChEMBLCHEMBL405289
IUPHARN/A
BindingDB50001310
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
88729Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
88731Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
88730Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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