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Ligand

NameCHEMBL97958
Molecular formulaC17H19ClN6O
IUPAC nameN-(4-chlorophenyl)-8-ethyl-2-morpholin-4-yl-7H-purin-6-amine
Molecular weight358.83
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50285944
(4-Chloro-phenyl)-(8-ethyl-2-morpholin-4-yl-9H-purin-6-yl)-amine
Inchi KeyNCEFJTQSAORBEV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN6O/c1-2-13-20-14-15(19-12-5-3-11(18)4-6-12)22-17(23-16(14)21-13)24-7-9-25-10-8-24/h3-6H,2,7-10H2,1H3,(H2,19,20,21,22,23)
PubChem CID44329351
ChEMBLCHEMBL97958
IUPHARN/A
BindingDB50285944
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
219696Substance-K receptorP21452TACR2Homo sapiens (Human)398
219697Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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