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Ligand

NameCHEMBL96385
Molecular formulaC16H11N3O
IUPAC name9-phenyl-3H-pyrimido[4,5-b]indol-4-one
Molecular weight261.284
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50014297
SCHEMBL14564553
9-Phenyl-3,9-dihydro-pyrimido[4,5-b]indol-4-one
4-Hydroxy-9-phenyl-9H-pyrimido[4,5-b]indole
9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol
Inchi KeyZXMGBUXZYPSVIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
PubChem CID136044063
ChEMBLCHEMBL96385
IUPHARN/A
BindingDB50014297
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
439887Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
439888Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
439885Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
439886Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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