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Ligand

NameCHEMBL92901
Molecular formulaC22H31N5O2
IUPAC name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-4,6-dimethylpyridine-3-carboxamide
Molecular weight397.523
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50408202
Inchi KeyCDERFWONVHXZLJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N5O2/c1-16-15-17(2)25-22(20(16)21(23)28)24-9-6-10-26-11-13-27(14-12-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,23,28)(H,24,25)
PubChem CID44324012
ChEMBLCHEMBL92901
IUPHARN/A
BindingDB50408202
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39214Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
39215Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
39216Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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