MARIMASTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D5EQV23TDS

Structure
InChI Key OCSMOTCMPXTDND-OUAUKWLOSA-N
Smile CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
InChI
InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H29N3O5
Molecular Weight 331.41
AlogP -0.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 127.76
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Matrix metalloproteinase 12 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 0-10000 - 2-84 -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- 4-10000 - 0-6 30
Enzyme
- 0-10000 - 2-84 30
Secreted protein
- 1001 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 3 D001943 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 154039-60-8
ChEBI 50662
ChEMBL CHEMBL279785
DrugBank DB00786
EPA CompTox DTXSID20165524
FDA SRS D5EQV23TDS
Human Metabolome Database HMDB0014924
Guide to Pharmacology 5220
PDB 097
PharmGKB PA164748329
PubChem 119031
SureChEMBL SCHEMBL34033
ZINC ZINC000001544157
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