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Name | SCHEMBL343780 |
---|---|
Molecular formula | C22H21BrN2O3S |
IUPAC name | N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]-4-tert-butylbenzenesulfonamide |
Molecular weight | 473.385 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | CHEMBL3714925 AWMBKXODVABIDV-UHFFFAOYSA-N N-[4-Bromo-2-(pyridine-4-carbonyl)-phenyl]-4-tert-butyl-benzenesulfonamide N-[4-Bromo-2-(pyridine-4-carbonyl)-phenyl]4-tert-butyl-benzenesulfonamide |
Inchi Key | AWMBKXODVABIDV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21BrN2O3S/c1-22(2,3)16-4-7-18(8-5-16)29(27,28)25-20-9-6-17(23)14-19(20)21(26)15-10-12-24-13-11-15/h4-14,25H,1-3H3 |
PubChem CID | 10412561 |
ChEMBL | CHEMBL3714925 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
521958 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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