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Name | CHEMBL2349332 |
---|---|
Molecular formula | C18H21BrFN5OS2 |
IUPAC name | (2R)-2-[[2-amino-5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol |
Molecular weight | 486.422 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 5.2 |
Synonyms | BDBM50432429 SCHEMBL5232446 |
Inchi Key | BAWCTQVXGNPSAG-GFCCVEGCSA-N |
Inchi ID | InChI=1S/C18H21BrFN5OS2/c1-9(2)5-12(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-3-4-11(19)6-13(10)20/h3-4,6,9,12,26H,5,7-8H2,1-2H3,(H3,21,22,23,24,25)/t12-/m1/s1 |
PubChem CID | 21035680 |
ChEMBL | CHEMBL2349332 |
IUPHAR | N/A |
BindingDB | 50432429 |
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 |
---|---|---|---|---|---|
19238 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
19237 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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