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Ligand

NameCHEMBL432973
Molecular formulaC36H39FN4O3
IUPAC name1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-piperidin-1-ylethyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
Molecular weight594.731
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50147225
3''N-(2-hexahydro-1-pyridinylethyl)-1-[4-(2-fluorophenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1''-(2''-cyclopentene)]-3''-carboxamide
Inchi KeyALTXCOPWMUDTBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H39FN4O3/c37-31-10-4-3-9-30(31)34(43)39-29-14-12-26(13-15-29)35(44)41-22-18-36(24-27-8-2-5-11-32(27)41)17-16-28(25-36)33(42)38-19-23-40-20-6-1-7-21-40/h2-5,8-15,25H,1,6-7,16-24H2,(H,38,42)(H,39,43)
PubChem CID44336402
ChEMBLCHEMBL432973
IUPHARN/A
BindingDB50147225
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
8576Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
8575Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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