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Ligand

NameCHEMBL393754
Molecular formulaC25H32ClN3O3
IUPAC nameN-(1-adamantylmethyl)-2-chloro-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)benzamide
Molecular weight457.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50225553
N-adamantan-1-ylmethyl-2-chloro-5-(9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carbonyl)-benzamide
Inchi KeyAVAIOUHGLVMSNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32ClN3O3/c26-22-2-1-18(24(31)29-12-19-10-27-11-20(13-29)32-19)6-21(22)23(30)28-14-25-7-15-3-16(8-25)5-17(4-15)9-25/h1-2,6,15-17,19-20,27H,3-5,7-14H2,(H,28,30)
PubChem CID44434716
ChEMBLCHEMBL393754
IUPHARN/A
BindingDB50225553
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
15131Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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