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Name | CHEMBL2349312 |
---|---|
Molecular formula | C19H24N4O2S2 |
IUPAC name | 7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-5-[(1S)-1-phenylethyl]sulfanyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one |
Molecular weight | 404.547 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50432450 SCHEMBL213886 15-58-7 Thiazolo[4,5-d]pyriMidin-2(3H)-one, 7-[[(1R)-1-(hydroxyMethyl)-3-Methylbutyl]aMino]-5-[[(1S)-1-phenylethyl]thio]- |
Inchi Key | IAGWEZFSRRPOSS-GXTWGEPZSA-N |
Inchi ID | InChI=1S/C19H24N4O2S2/c1-11(2)9-14(10-24)20-16-15-17(23-19(25)27-15)22-18(21-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H2,20,21,22,23,25)/t12-,14+/m0/s1 |
PubChem CID | 11857488 |
ChEMBL | CHEMBL2349312 |
IUPHAR | N/A |
BindingDB | 50432450 |
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 |
---|---|---|---|---|---|
128389 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
128390 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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