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Ligand

NameCHEMBL275109
Molecular formulaC22H23ClN2O
IUPAC name1-[4-(13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
Molecular weight366.889
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50281829
SCHEMBL8877955
1-[4-(8-Chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
Inchi KeyIPEVIECOSRVVCZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN2O/c1-14-11-18-4-3-17-12-19(23)5-6-20(17)21(22(18)24-13-14)16-7-9-25(10-8-16)15(2)26/h5-6,11-13H,3-4,7-10H2,1-2H3
PubChem CID44267108
ChEMBLCHEMBL275109
IUPHARN/A
BindingDB50281829
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
138538Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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