compound 3 [PMID: 14640538]

Ligand id: 8675

Name: compound 3 [PMID: 14640538]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 165.8
Molecular weight 237.06
XLogP 0.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid
Synonyms
2-mercaptomethyl-3-guanidinoethylthiopropanoic acid | 2-Mmgetpa | DL-2-mercaptomethyl-3-guanidinoethyl-thiopropanoic acid | mergepta | MGTA
Database Links
PubChem CID 123726
Search Google for chemical match using the InChIKey AKPKWZRKZOAAAZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AKPKWZRKZOAAAZ
Search UniChem for chemical match using the InChIKey AKPKWZRKZOAAAZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AKPKWZRKZOAAAZ
Comments
Compound 3 was developed as an inhibitor of the thrombin-activatable fibrinolysis inhibitor (plasma carboxypeptidase B2) [1].