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Ligand

NameCHEMBL90746
Molecular formulaC27H33N5O
IUPAC nameN,N-dimethyl-2-[3-[4-(2-phenylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
Molecular weight443.595
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50408216
Inchi KeyGUKVULLJWDLSGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N5O/c1-30(2)27(33)24-13-8-15-28-26(24)29-16-9-17-31-18-20-32(21-19-31)25-14-7-6-12-23(25)22-10-4-3-5-11-22/h3-8,10-15H,9,16-21H2,1-2H3,(H,28,29)
PubChem CID10575254
ChEMBLCHEMBL90746
IUPHARN/A
BindingDB50408216
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
105686Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
105685Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
105683Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
105684D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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