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Ligand

NameCHEMBL1689130
Molecular formulaC22H24Cl2N2O4
IUPAC name2-[4-chloro-2-[[(3S)-4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
Molecular weight451.344
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50339759
SCHEMBL1713861
(S)-2-(4-chloro-2-((4-(2-(3-chlorophenyl)acetyl)-3-methylpiperazin-1-yl)methyl)phenoxy)acetic acid
Inchi KeyAKGCSSSQGMHLQE-HNNXBMFYSA-N
Inchi IDInChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)5-6-20(17)30-14-22(28)29)7-8-26(15)21(27)10-16-3-2-4-18(23)9-16/h2-6,9,11,15H,7-8,10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
PubChem CID11633804
ChEMBLCHEMBL1689130
IUPHARN/A
BindingDB50339759
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
7510Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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