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Name | CHEMBL2042378 |
---|---|
Molecular formula | C23H17ClN4O5S |
IUPAC name | 2-[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 weight | 496.922 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | ASSMTOZUONKVFM-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 Key | ASSMTOZUONKVFM-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 67496929 |
ChEMBL | CHEMBL2042378 |
IUPHAR | N/A |
BindingDB | 50385626 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
13483 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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