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Ligand

NameCHEMBL1689125
Molecular formulaC23H27ClN2O4
IUPAC name2-[4-chloro-2-[[(3R,5S)-3,5-dimethyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid
Molecular weight430.929
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50339768
SCHEMBL1714510
2-(4-chloro-2-(((3S,5R)-3,5-dimethyl-4-(2-phenylacetyl)piperazin-1-yl)methyl)phenoxy)acetic acid
Inchi KeyAFHZNYOZSHABDK-CALCHBBNSA-N
Inchi IDInChI=1S/C23H27ClN2O4/c1-16-12-25(14-19-11-20(24)8-9-21(19)30-15-23(28)29)13-17(2)26(16)22(27)10-18-6-4-3-5-7-18/h3-9,11,16-17H,10,12-15H2,1-2H3,(H,28,29)/t16-,17+
PubChem CID11604412
ChEMBLCHEMBL1689125
IUPHARN/A
BindingDB50339768
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4168Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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