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Ligand

NameCHEMBL352181
Molecular formulaC26H30N4S
IUPAC nameN-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbothioamide
Molecular weight430.614
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50139517
N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl}-thiobenzamide
Inchi KeyACAQTMICMMVXHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)
PubChem CID44376272
ChEMBLCHEMBL352181
IUPHARN/A
BindingDB50139517
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
13815-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
13825-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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