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Ligand

NameCHEMBL1440907
Molecular formulaC21H24N6O
IUPAC name1-[4-[4-(6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl)piperazin-1-yl]phenyl]ethanone
Molecular weight376.464
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsHMS1870O16
NCGC00124731-01
1-{4-[4-(6,7,8,9-tetrahydropyrido[1,2-e]purin-4-yl)piperazin-1-yl]phenyl}ethanone
MCULE-6211259944
ZINC6899904
[ Show all ]
Inchi KeyAAXCBEJOJWCJEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N6O/c1-15(28)16-5-7-17(8-6-16)25-10-12-26(13-11-25)20-19-21(23-14-22-20)27-9-3-2-4-18(27)24-19/h5-8,14H,2-4,9-13H2,1H3
PubChem CID16021741
ChEMBLCHEMBL1440907
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
463024Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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