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Name | CHEMBL2042379 |
---|---|
Molecular formula | C21H15ClN4O5S |
IUPAC name | 2-[1-(1,3-benzothiazol-2-ylmethyl)-5'-chloro-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid |
Molecular weight | 470.884 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | [1-(1,3-benzothiazol-2-ylmethyl)-5'-chloro-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indol]-1'(2'H)-yl]acetic acid ARRFELTXNOKLHD-UHFFFAOYSA-N BDBM50385627 SCHEMBL2684726 |
Inchi Key | ARRFELTXNOKLHD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H15ClN4O5S/c1-24-20(31)26(9-16-23-13-4-2-3-5-15(13)32-16)19(30)21(24)12-8-11(22)6-7-14(12)25(18(21)29)10-17(27)28/h2-8H,9-10H2,1H3,(H,27,28) |
PubChem CID | 67496758 |
ChEMBL | CHEMBL2042379 |
IUPHAR | N/A |
BindingDB | 50385627 |
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 |
---|---|---|---|---|---|
12694 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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