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Name | CHEMBL497202 |
---|---|
Molecular formula | C26H32F3N3O4S2 |
IUPAC name | N-[2-[[(1S,2R,4R)-4-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
Molecular weight | 571.674 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | SCHEMBL2988733 BDBM50268423 N-(2-((1S,2R,4R)-4-(dimethylamino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide |
Inchi Key | ACJHGTKORBIIDI-NOXFTYBFSA-N |
Inchi ID | InChI=1S/C26H32F3N3O4S2/c1-32(2)20-7-12-23(18(14-20)16-38(35,36)22-10-8-21(37-3)9-11-22)31-24(33)15-30-25(34)17-5-4-6-19(13-17)26(27,28)29/h4-6,8-11,13,18,20,23H,7,12,14-16H2,1-3H3,(H,30,34)(H,31,33)/t18-,20+,23-/m0/s1 |
PubChem CID | 10289827 |
ChEMBL | CHEMBL497202 |
IUPHAR | N/A |
BindingDB | 50268423 |
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 |
---|---|---|---|---|---|
1624 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
1625 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
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