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Ligand

NameCHEMBL398295
Molecular formulaC21H26N6O3S
IUPAC name(1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol
Molecular weight442.538
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.0
SynonymsN/A
Inchi KeyBJHIZNMMXXDOOK-REVTZOBFSA-N
Inchi IDInChI=1S/C21H26N6O3S/c1-2-8-31-21-23-19(22-13-9-12(13)11-6-4-3-5-7-11)16-20(24-21)27(26-25-16)14-10-15(28)18(30)17(14)29/h3-7,12-15,17-18,28-30H,2,8-10H2,1H3,(H,22,23,24)/t12-,13+,14+,15-,17-,18+/m0/s1
PubChem CID44443935
ChEMBLCHEMBL398295
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25107P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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