aliskiren (tekturna) Report issue

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

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Chemistry

Mol. Mass

551.77

ALogP

3.29

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
  • InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N
    InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1639   ChEMBL
aliskiren *

CHEMBL3545059   ChEMBL
aliskiren fumarate

502FWN4Q32   NCATS
aliskiren *

Aliskiren   Wikipedia

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