atecegatran metoxil

Ligand id: 7682

Name: atecegatran metoxil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 126.48
Molecular weight 496.13
XLogP 2.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form AR-H067637
IUPAC Name
(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-methoxycarbamimidoyl)phenyl]methyl]azetidine-2-carboxamide
International Nonproprietary Names
INN number INN
9282 atecegatran metoxil
Synonyms
atecegatran fexenetil | AZD 0837 | AZD-0837 | AZD0837
Database Links
CAS Registry No. 433937-93-0 (source: SciFinder)
PubChem CID 9961205
Search Google for chemical match using the InChIKey XSNMGLZVFNDDPW-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone XSNMGLZVFNDDPW
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Search UniChem for chemical match using the InChIKey XSNMGLZVFNDDPW-ZWKOTPCHSA-N
Search UniChem for chemicals with the same backbone XSNMGLZVFNDDPW
Comments
This direct thrombin inhibitor prodrug (aka AZD0837) from AstraZeneca was the follow-up for AZ3971. It is dicussed in the recent AZ 2014 review paper [1].