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Ligand

NameCHEMBL401331
Molecular formulaC22H27N3O
IUPAC name2-(1-adamantylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Molecular weight349.478
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50231726
SCHEMBL4423925
2-(adamantan-1-ylamino)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Inchi KeyBCRACZUFBDFMQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O/c1-21(2)10-18-17(19(26)11-21)6-16(12-23)20(24-18)25-22-7-13-3-14(8-22)5-15(4-13)9-22/h6,13-15H,3-5,7-11H2,1-2H3,(H,24,25)
PubChem CID24777695
ChEMBLCHEMBL401331
IUPHARN/A
BindingDB50231726
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20425Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199

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