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Ligand

NameCHEMBL91093
Molecular formulaC26H39N5O2
IUPAC name2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
Molecular weight453.631
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50408232
SCHEMBL9027357
Inchi KeyGPLJLDTUCYLAKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28)
PubChem CID10647341
ChEMBLCHEMBL91093
IUPHARN/A
BindingDB50408232
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
102088Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
102087Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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