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Name | CHEMBL2349321 |
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Molecular formula | C18H22N4O2S2 |
IUPAC name | 5-benzylsulfanyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one |
Molecular weight | 390.52 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | LOSWDIGGZMWFHV-CYBMUJFWSA-N 5-(Benzylthio)-7-{[(1R)-1-(hydroxymethyl)-3-methylbutyl]amino}[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one SCHEMBL213765 BDBM50432440 |
Inchi Key | LOSWDIGGZMWFHV-CYBMUJFWSA-N |
Inchi ID | InChI=1S/C18H22N4O2S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1 |
PubChem CID | 57692074 |
ChEMBL | CHEMBL2349321 |
IUPHAR | N/A |
BindingDB | 50432440 |
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 |
---|---|---|---|---|---|
192658 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
192657 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
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