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Ligand

NameCHEMBL329601
Molecular formulaC22H31N5OS
IUPAC nameN,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
Molecular weight413.584
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsL014714
SCHEMBL9027670
Inchi KeyIHHRXUIICYQOEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N5OS/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
PubChem CID10549680
ChEMBLCHEMBL329601
IUPHARN/A
BindingDBN/A
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
133225Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
133226Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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