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Ligand

NameCHEMBL2042378
Molecular formulaC23H17ClN4O5S
IUPAC name2-[5'-chloro-3-methyl-2,2',5-trioxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]spiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
Molecular weight496.922
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsASSMTOZUONKVFM-UHFFFAOYSA-N
BDBM50385626
SCHEMBL2684986
[5'-chloro-3-methyl-2,2',5-trioxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl] Spiro[imidazolidine-4,3'-indol]-1'(2'H)-yl]acetic acid
Inchi KeyASSMTOZUONKVFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30)
PubChem CID67496929
ChEMBLCHEMBL2042378
IUPHARN/A
BindingDB50385626
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
13483Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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