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Ligand

NameCHEMBL2049112
Molecular formulaC18H19BrN2O2
IUPAC name2-bromo-N-[3-(butanoylamino)phenyl]-5-methylbenzamide
Molecular weight375.266
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL10069475
BDBM50386397
BRD-K77600652-001-01-9
Inchi KeyBYKXADYBFGJVQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19BrN2O2/c1-3-5-17(22)20-13-6-4-7-14(11-13)21-18(23)15-10-12(2)8-9-16(15)19/h4,6-11H,3,5H2,1-2H3,(H,20,22)(H,21,23)
PubChem CID53245434
ChEMBLCHEMBL2049112
IUPHARN/A
BindingDB50386397
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
35877Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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