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Ligand

NameCHEMBL404244
Molecular formulaC25H32ClN3O
IUPAC name2-(2-chloro-N-methylanilino)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Molecular weight426.001
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.0
SynonymsN/A
Inchi KeyDPPAACSODVIBIE-QPPBQGQZSA-N
Inchi IDInChI=1S/C25H32ClN3O/c1-27(23-14-6-5-13-22(23)26)19-25(30)29-17-9-12-21(20-10-3-2-4-11-20)24(29)18-28-15-7-8-16-28/h2-6,10-11,13-14,21,24H,7-9,12,15-19H2,1H3/t21-,24+/m1/s1
PubChem CID44448289
ChEMBLCHEMBL404244
IUPHARN/A
BindingDBN/A
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
65825Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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