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Ligand

NameCHEMBL2111718
Molecular formulaC23H25N5O2
IUPAC name(2S)-3-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
Molecular weight403.486
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50455625
SCHEMBL8594229
1-Phenyl-6-propoxy-N-[(S)-1-hydroxymethyl-2-phenylethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Inchi KeyAMJHXTWLUCVTRC-SFHVURJKSA-N
Inchi IDInChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(16-29)14-17-9-5-3-6-10-17)20-15-24-28(22(20)27-23)19-11-7-4-8-12-19/h3-12,15,18,29H,2,13-14,16H2,1H3,(H,25,26,27)/t18-/m0/s1
PubChem CID15667131
ChEMBLCHEMBL2111718
IUPHARN/A
BindingDB50455625
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
8945Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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