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Ligand

NameCHEMBL102182
Molecular formulaC27H27FN4O
IUPAC name4-fluoro-N-[3-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight442.538
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.9
SynonymsKSMURUARAUFRFH-UHFFFAOYSA-N
5-(N-[4-fluorobenzoyl]amino)-3-(1-(2-phenyleth-1-yl)piperidin-4-yl)pyrrolo[3,2-b]pyridine
SCHEMBL7011273
4-Fluoro-N-[3-(1-phenethyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
BDBM50130425
Inchi KeyKSMURUARAUFRFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN4O/c28-22-8-6-21(7-9-22)27(33)31-25-11-10-24-26(30-25)23(18-29-24)20-13-16-32(17-14-20)15-12-19-4-2-1-3-5-19/h1-11,18,20,29H,12-17H2,(H,30,31,33)
PubChem CID10873909
ChEMBLCHEMBL102182
IUPHARN/A
BindingDB50130425
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
1771515-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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