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Ligand

NameA 77636 hydrochloride
Molecular formulaC20H28ClNO3
IUPAC name(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
Molecular weight365.898
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogPNone
SynonymsA-255
CCG-221433
MolPort-039-052-174
Tox21_500129
(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
[ Show all ]
Inchi KeyBWHPNJVKFAPVOG-QYFJGNGUSA-N
Inchi IDInChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1
PubChem CID9951033
ChEMBLCHEMBL1256876
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
344595-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
34458D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
467154D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
34460Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
34456Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
34457Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
467153Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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