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Ligand

NameCHEMBL1277492
Molecular formulaC24H24ClNO4
IUPAC name(3R)-1-(3-chloro-5-oxospiro[benzo[b][1]benzoxepine-6,3'-cyclopentane]-1'-yl)piperidine-3-carboxylic acid
Molecular weight425.909
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50417377
Inchi KeyAOSLQNBDHSOLAE-HAQQTFLXSA-N
Inchi IDInChI=1S/C24H24ClNO4/c25-16-7-8-20-18(12-16)22(27)24(19-5-1-2-6-21(19)30-20)10-9-17(13-24)26-11-3-4-15(14-26)23(28)29/h1-2,5-8,12,15,17H,3-4,9-11,13-14H2,(H,28,29)/t15-,17?,24?/m1/s1
PubChem CID49836842
ChEMBLCHEMBL1277492
IUPHARN/A
BindingDB50417377
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
105655-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
105635-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
10564Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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