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Name | CHEMBL3604502 |
---|---|
Molecular formula | C22H23ClN4O4S |
IUPAC name | 2-[[3-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]pyrazin-2-yl]amino]acetic acid |
Molecular weight | 474.96 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 4.2 |
Synonyms | BDBM50113433 |
Inchi Key | IBEDSNAOJOARAY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-21(25-11-10-24-20)26-13-19(28)29/h4-12,27H,13H2,1-3H3,(H,25,26)(H,28,29) |
PubChem CID | 122185766 |
ChEMBL | CHEMBL3604502 |
IUPHAR | N/A |
BindingDB | 50113433 |
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 |
---|---|---|---|---|---|
478815 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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