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Ligand

NameCHEMBL3648215
Molecular formulaC24H20Cl2N4O2
IUPAC name5-[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidine-1-carbonyl]pyridine-2-carbonitrile
Molecular weight467.35
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsUS8507535, 21
BDBM100782
SCHEMBL10026141
Inchi KeyAHSXMAQCWOVQLS-ZJSXRUAMSA-N
Inchi IDInChI=1S/C24H20Cl2N4O2/c1-24(15-32-22-9-7-19(26)12-29-22)14-30(13-21(24)16-2-5-18(25)6-3-16)23(31)17-4-8-20(10-27)28-11-17/h2-9,11-12,21H,13-15H2,1H3/t21-,24-/m1/s1
PubChem CID58046459
ChEMBLCHEMBL3648215
IUPHARN/A
BindingDB100782
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5861Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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