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Ligand

NameCHEMBL318254
Molecular formulaC18H21ClN6O
IUPAC nameN-(4-chlorophenyl)-2-morpholin-4-yl-8-propyl-7H-purin-6-amine
Molecular weight372.857
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50285943
(4-Chloro-phenyl)-(2-morpholin-4-yl-8-propyl-9H-purin-6-yl)-amine
Inchi KeyBHCLMCDCKVEHIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClN6O/c1-2-3-14-21-15-16(20-13-6-4-12(19)5-7-13)23-18(24-17(15)22-14)25-8-10-26-11-9-25/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22,23,24)
PubChem CID10044833
ChEMBLCHEMBL318254
IUPHARN/A
BindingDB50285943
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
23630Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
23631Substance-K receptorP21452TACR2Homo sapiens (Human)398

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