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Ligand

NameCHEMBL1278113
Molecular formulaC24H28N2O2
IUPAC name4-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]piperazine-2-carboxylic acid
Molecular weight376.5
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50417367
Inchi KeyAYWYOYAKLYFQAR-JVPYDEADSA-N
Inchi IDInChI=1S/C24H28N2O2/c27-23(28)22-16-26(12-11-25-22)20-9-10-24(15-20)14-19-7-2-1-5-17(19)13-18-6-3-4-8-21(18)24/h1-8,20,22,25H,9-16H2,(H,27,28)/t20?,22?,24-/m0/s1
PubChem CID49836522
ChEMBLCHEMBL1278113
IUPHARN/A
BindingDB50417367
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
178595-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
178575-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
178605-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
17858Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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