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Name | CHEMBL3718094 |
---|---|
Molecular formula | C28H31ClN4O5S |
IUPAC name | N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-[4-[(4R,5R)-2,4,5-trimethyl-1,3-dioxolan-2-yl]piperazin-1-yl]benzenesulfonamide |
Molecular weight | 571.089 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | N/A |
Inchi Key | JAIIDNMTTHBYDA-WOJBJXKFSA-N |
Inchi ID | InChI=1S/C28H31ClN4O5S/c1-19-20(2)38-28(3,37-19)33-16-14-32(15-17-33)23-5-7-24(8-6-23)39(35,36)31-26-9-4-22(29)18-25(26)27(34)21-10-12-30-13-11-21/h4-13,18-20,31H,14-17H2,1-3H3/t19-,20-/m1/s1 |
PubChem CID | 127024543 |
ChEMBL | CHEMBL3718094 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
525740 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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