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Name | CHEMBL2349326 |
---|---|
Molecular formula | C19H22N6OS2 |
IUPAC name | 2-[[2-amino-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile |
Molecular weight | 414.546 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | SCHEMBL5230426 BDBM50432435 |
Inchi Key | XWAUEZBZFHUMHB-CQSZACIVSA-N |
Inchi ID | InChI=1S/C19H22N6OS2/c1-11(2)7-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-6-4-3-5-12(13)8-20/h3-6,11,14,26H,7,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1 |
PubChem CID | 71625274 |
ChEMBL | CHEMBL2349326 |
IUPHAR | N/A |
BindingDB | 50432435 |
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 |
---|---|---|---|---|---|
402345 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
402344 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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