ximelagatran Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

Back

Chemistry

Mol. Mass

429.52

ALogP

0.81

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C3CCCCC3)cc1
  • InChIKey: DKWNMCUOEDMMIN-PKOBYXMFSA-N
    InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL266349   ChEMBL
melagatran

CHEMBL522038   ChEMBL
ximelagatran

Ximelagatran   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue