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Ligand

NameCHEMBL2398758
Molecular formulaC23H34ClN3O2
IUPAC nameN-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
Molecular weight419.994
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50436268
SCHEMBL4492381
Inchi KeyAHKAIGXAFJEQRP-HXUWFJFHSA-N
Inchi IDInChI=1S/C23H34ClN3O2/c1-16(2)20(25-21(28)17-7-5-6-8-17)22(29)26-13-14-27(23(3,4)15-26)19-11-9-18(24)10-12-19/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,25,28)/t20-/m1/s1
PubChem CID24738063
ChEMBLCHEMBL2398758
IUPHARN/A
BindingDB50436268
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
5642C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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