darunavir (prezista) Report issue

Small molecule Approved FDA Fast Track FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

547.67

ALogP

2.38

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
  • InChIKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
    InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1323   ChEMBL
darunavir *

CHEMBL1201127   ChEMBL
darunavir ethanolate

YO603Y8113   NCATS
darunavir *

Darunavir   Wikipedia

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