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Ligand

NameNPS-2143
Molecular formulaC24H25ClN2O2
IUPAC name2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile
Molecular weight408.926
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
Synonyms2-CHLORO-6-[(2R)-3-[[1,1-DIMETHYL-2-(2-NAPHTHALENYL)ETHYL]AMINO]-2-HYDROXYPROPOXY]BENZONITRILE
AB0033815
Benzonitrile, 2-chloro-6-((2R)-3-((1,1-dimethyl-2-(2-naphthalenyl)ethyl)amino)-2-hydroxypropoxy)-
EX-A017
NPS 2143
[ Show all ]
Inchi KeyPZUJQWHTIRWCID-HXUWFJFHSA-N
Inchi IDInChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
PubChem CID6918446
ChEMBLCHEMBL180672
IUPHAR716
BindingDB50161093
DrugBankDB05695

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
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GLASS IDNameUniProtGeneSpeciesLength
272987Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
272983Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078
272984Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079
272986Extracellular calcium-sensing receptorP35384CASRBos taurus (Bovine)1085
554633G-protein coupled receptor family C group 6 member AQ8K4Z6Gprc6aMus musculus (Mouse)928

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