ruxolitinib (jakafi) Report issue

Small molecule Orphan Drug FDA Approved FDA First in Class Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

306.37

ALogP

3.47

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
  • InChIKey: HFNKQEVNSGCOJV-OAHLLOKOSA-N
    InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1789941   ChEMBL
ruxolitinib *

CHEMBL1795071   ChEMBL
ruxolitinib phosphate

82S8X8XX8H   NCATS
ruxolitinib *

Ruxolitinib   Wikipedia

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