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Ligand

NameCHEMBL75489
Molecular formulaC40H42N6O4
IUPAC name2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[4-methyl-2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]phenyl]carbamoyl]phenyl]benzamide
Molecular weight670.814
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50108499
1N-methyl-1N-{4-methyl-2-[4-(4-methylhexahydro-1-pyrazinylcarbonyl)benzyloxy]phenyl}-4-[2-(2-ethyl-1H-1-imidazolyl)phenylcarboxamido]benzamide
Inchi KeyBCEZGQLWWKMCIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H42N6O4/c1-5-37-41-20-21-46(37)34-9-7-6-8-33(34)38(47)42-32-17-15-30(16-18-32)39(48)44(4)35-19-10-28(2)26-36(35)50-27-29-11-13-31(14-12-29)40(49)45-24-22-43(3)23-25-45/h6-21,26H,5,22-25,27H2,1-4H3,(H,42,47)
PubChem CID44313913
ChEMBLCHEMBL75489
IUPHARN/A
BindingDB50108499
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20112Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
20111Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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