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Ligand

NameCHEMBL351036
Molecular formulaC26H29ClN4S
IUPAC name4-chloro-N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbothioamide
Molecular weight465.056
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.4
Synonyms4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl}-thiobenzamide
BDBM50139520
Inchi KeyAXEVTXYFZSFYFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29ClN4S/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)
PubChem CID44376282
ChEMBLCHEMBL351036
IUPHARN/A
BindingDB50139520
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
166305-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
166315-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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