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Ligand

NameCHEMBL98977
Molecular formulaC18H21ClN6O
IUPAC nameN-(4-chlorophenyl)-2-morpholin-4-yl-8-propan-2-yl-7H-purin-6-amine
Molecular weight372.857
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
Synonyms(4-Chloro-phenyl)-(8-isopropyl-2-morpholin-4-yl-9H-purin-6-yl)-amine
BDBM50285955
Inchi KeyAKSUWOQEYUZANW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClN6O/c1-11(2)15-21-14-16(20-13-5-3-12(19)4-6-13)23-18(24-17(14)22-15)25-7-9-26-10-8-25/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22,23,24)
PubChem CID10022196
ChEMBLCHEMBL98977
IUPHARN/A
BindingDB50285955
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
7866Substance-K receptorP21452TACR2Homo sapiens (Human)398
7867Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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