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Ligand

NameCHEMBL1276948
Molecular formulaC23H25NO2
IUPAC name1-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]azetidine-3-carboxylic acid
Molecular weight347.458
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
Synonyms1-((1S)-5'',11''-Dihydrospiro[cyclopentane-1,10''-dibenzo[a,d]-cyclohepten]-3-yl)-3-azetidinecarboxylic Acid
BDBM50330751
1-[(1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-[10H]dibenzo[a,d]cycloheptene]-3-yl]azetidine-3-carboxylic acid
Inchi KeyCXDSZAINFKAKPN-AKRCKQFNSA-N
Inchi IDInChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1
PubChem CID49836633
ChEMBLCHEMBL1276948
IUPHARN/A
BindingDB50330751
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526955-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
526975-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
526985-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
526995-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
52694Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
52696Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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