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Name | CHEMBL2349179 |
---|---|
Molecular formula | C18H23ClN6OS2 |
IUPAC name | (2R)-2-[[2-amino-5-[(1S)-1-(4-chloropyridin-2-yl)ethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol |
Molecular weight | 438.993 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50432467 |
Inchi Key | IODWPMZCKDAIJU-CMPLNLGQSA-N |
Inchi ID | InChI=1S/C18H23ClN6OS2/c1-9(2)6-12(8-26)22-15-14-16(23-17(20)28-14)25-18(24-15)27-10(3)13-7-11(19)4-5-21-13/h4-5,7,9-10,12,26H,6,8H2,1-3H3,(H3,20,22,23,24,25)/t10-,12+/m0/s1 |
PubChem CID | 71716556 |
ChEMBL | CHEMBL2349179 |
IUPHAR | N/A |
BindingDB | 50432467 |
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 |
---|---|---|---|---|---|
137832 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
137833 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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