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Name | CHEMBL2349322 |
---|---|
Molecular formula | C18H22BrN5OS2 |
IUPAC name | (2R)-2-[[2-amino-5-[(2-bromophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol |
Molecular weight | 468.432 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.1 |
Synonyms | BDBM50432439 SCHEMBL5230198 |
Inchi Key | VJDGYTGVFWCGJT-GFCCVEGCSA-N |
Inchi ID | InChI=1S/C18H22BrN5OS2/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 | 71625271 |
ChEMBL | CHEMBL2349322 |
IUPHAR | N/A |
BindingDB | 50432439 |
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 |
---|---|---|---|---|---|
356423 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
356422 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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