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Ligand

NameCHEMBL319920
Molecular formulaC19H20FN3O3S
IUPAC name[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl] 4-fluorobenzenesulfonate
Molecular weight389.445
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
Synonyms4-Fluoro-benzenesulfonic acid 3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl ester
BDBM50130463
Inchi KeyFKLMZYPETBQBHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20FN3O3S/c1-23-10-8-13(9-11-23)16-12-21-17-6-7-18(22-19(16)17)26-27(24,25)15-4-2-14(20)3-5-15/h2-7,12-13,21H,8-11H2,1H3
PubChem CID11101187
ChEMBLCHEMBL319920
IUPHARN/A
BindingDB50130463
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
805955-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
805945-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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