argatroban

Ligand id: 6385

Name: argatroban

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View more information in the IUPHAR Pharmacology Education Project: argatroban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 188.59
Molecular weight 508.25
XLogP -0.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2000))
IUPAC Name
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
International Nonproprietary Names
INN number INN
6119 argatroban
Synonyms
DK-7419 | GN-1600 | Gn1600 | MCI-9038 | MD-805
Database Links
CAS Registry No. 74863-84-6
ChEMBL Ligand CHEMBL1166
DrugBank Ligand DB00278
GtoPdb PubChem SID 178103001
PubChem CID 92722
Search Google for chemical match using the InChIKey KXNPVXPOPUZYGB-IOVMHBDKSA-N
Search Google for chemicals with the same backbone KXNPVXPOPUZYGB
Search PubMed clinical trials argatroban
Search PubMed titles argatroban
Search PubMed titles/abstracts argatroban
Search UniChem for chemical match using the InChIKey KXNPVXPOPUZYGB-IOVMHBDKSA-N
Search UniChem for chemicals with the same backbone KXNPVXPOPUZYGB
Wikipedia Argatroban
Comments
Prescription is by the INN argatroban as there are no brand names. The INN-assigned compound consists of two epimers, and the version we show here matches the structure and stereochemistry in the INN document but does not specify the epimer. One of the epimers is listed on PubChem as CID 152951.