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Ligand

NameCHEMBL104484
Molecular formulaC21H21N5O
IUPAC name4-cyano-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
Molecular weight359.433
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
Synonyms4-Cyano-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
BDBM50130432
5-(N-[4-cyanobenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CDOSRLXPFHPFFJ-UHFFFAOYSA-N
SCHEMBL7015762
Inchi KeyCDOSRLXPFHPFFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O/c1-26-10-8-15(9-11-26)17-13-23-18-6-7-19(24-20(17)18)25-21(27)16-4-2-14(12-22)3-5-16/h2-7,13,15,23H,8-11H2,1H3,(H,24,25,27)
PubChem CID11824522
ChEMBLCHEMBL104484
IUPHARN/A
BindingDB50130432
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
394795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
394815-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
394825-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
394805-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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