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Ligand

NameCHEMBL165818
Molecular formulaC18H16BrN3
IUPAC name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine-3-carbonitrile
Molecular weight354.251
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.8
Synonyms1-(2-Bromo-4-isopropylphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
BDBM50074438
Inchi KeyBRMLMCCMPKITGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16BrN3/c1-11(2)13-4-5-16(15(19)8-13)22-10-14(9-20)17-12(3)6-7-21-18(17)22/h4-8,10-11H,1-3H3
PubChem CID10808015
ChEMBLCHEMBL165818
IUPHARN/A
BindingDB50074438
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
31121Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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