marimastat

Ligand id: 5220

Name: marimastat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 127.76
Molecular weight 331.21
XLogP 0.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(2S,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N',2-dihydroxy-3-(2-methylpropyl)butanediamide
International Nonproprietary Names
INN number INN
7480 marimastat
Database Links
CAS Registry No. 154039-60-8
ChEBI CHEBI:50662
ChEMBL Ligand CHEMBL279785
DrugBank Ligand DB00786
GtoPdb PubChem SID 178101905
PubChem CID 119031
RCSB PDB Ligand 97, 097
Search Google for chemical match using the InChIKey OCSMOTCMPXTDND-OUAUKWLOSA-N
Search Google for chemicals with the same backbone OCSMOTCMPXTDND
Search PubMed clinical trials marimastat
Search PubMed titles marimastat
Search PubMed titles/abstracts marimastat
Search UniChem for chemical match using the InChIKey OCSMOTCMPXTDND-OUAUKWLOSA-N
Search UniChem for chemicals with the same backbone OCSMOTCMPXTDND
Wikipedia Marimastat

Product suppliers

Tocris
Marimastat
Cat. No. 2631