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Name | CHEMBL2349324 |
---|---|
Molecular formula | C18H22FN5OS2 |
IUPAC name | (2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol |
Molecular weight | 407.526 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.5 |
Synonyms | (R)-2-[2-Amino-5-(2-fluorophenylmethylthio)-thiazolo[4,5-d]pyrimidin-7-ylamino]-4-methyl-pentan-1-ol SCHEMBL5235414 BDBM50432437 HVAOCXFQAGCNQP-GFCCVEGCSA-N |
Inchi Key | HVAOCXFQAGCNQP-GFCCVEGCSA-N |
Inchi ID | InChI=1S/C18H22FN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1 |
PubChem CID | 71625272 |
ChEMBL | CHEMBL2349324 |
IUPHAR | N/A |
BindingDB | 50432437 |
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 |
---|---|---|---|---|---|
124789 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
124790 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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