ximelagatran

Ligand id: 6381

Name: ximelagatran

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 146.35
Molecular weight 473.26
XLogP 2.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form melagatran
IUPAC Name
ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate
International Nonproprietary Names
INN number INN
8037 ximelagatran
Synonyms
H 376-95 | H 376/95
Database Links
CAS Registry No. 192939-46-1 (source: PubChem)
ChEBI CHEBI:65172
ChEMBL Ligand CHEMBL522038
DrugBank Ligand DB04898
PubChem CID 9574101
Search Google for chemical match using the InChIKey ZXIBCJHYVWYIKI-PZJWPPBQSA-N
Search Google for chemicals with the same backbone ZXIBCJHYVWYIKI
Search PubMed clinical trials ximelagatran
Search PubMed titles ximelagatran
Search PubMed titles/abstracts ximelagatran
Search UniChem for chemical match using the InChIKey ZXIBCJHYVWYIKI-PZJWPPBQSA-N
Search UniChem for chemicals with the same backbone ZXIBCJHYVWYIKI
Wikipedia Ximelagatran
Comments
Applications for approval of ximelagatran were withdrawn in 2006.