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Ligand

NameCHEMBL105955
Molecular formulaC17H24N4O
IUPAC nameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide
Molecular weight300.406
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.0
Synonyms5-(N-[butyryl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
BDBM50130465
JJDBTUIYFOHXHH-UHFFFAOYSA-N
N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-butyramide
SCHEMBL7015988
Inchi KeyJJDBTUIYFOHXHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)
PubChem CID11044798
ChEMBLCHEMBL105955
IUPHARN/A
BindingDB50130465
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
1522445-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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