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Ligand

NameCHEMBL124466
Molecular formulaC20H21ClN2O
IUPAC nameN-[(3E)-3-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)propyl]-N-methylacetamide
Molecular weight340.851
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50007463
N-[3-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-propyl]-N-methyl-acetamide(E isomer)
N-[3-[[(E)-8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin]-11-ylidene]propyl]-N-methylacetamide
Inchi KeyJHOJSIPGICNRRG-KPSZGOFPSA-N
Inchi IDInChI=1S/C20H21ClN2O/c1-14(24)23(2)12-4-6-19-18-10-9-17(21)13-16(18)8-7-15-5-3-11-22-20(15)19/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b19-6+
PubChem CID14885640
ChEMBLCHEMBL124466
IUPHARN/A
BindingDB50007463
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
151176Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
151177Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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