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Name | CHEMBL2349302 |
---|---|
Molecular formula | C19H22ClN5O2S2 |
IUPAC name | methyl (2R)-2-[[2-amino-5-[(2-chlorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentanoate |
Molecular weight | 451.988 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.6 |
Synonyms | BDBM50432456 |
Inchi Key | QYYTVPCDMRVGDU-CYBMUJFWSA-N |
Inchi ID | InChI=1S/C19H22ClN5O2S2/c1-10(2)8-13(17(26)27-3)22-15-14-16(23-18(21)29-14)25-19(24-15)28-9-11-6-4-5-7-12(11)20/h4-7,10,13H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t13-/m1/s1 |
PubChem CID | 71625019 |
ChEMBL | CHEMBL2349302 |
IUPHAR | N/A |
BindingDB | 50432456 |
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 |
---|---|---|---|---|---|
290212 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
290213 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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