ALDUMASTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: EI4HZ6P03E

Structure
InChI Key CMLVKUWQFZQPPS-YUNKPMOVSA-N
Smile C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1
InChI
InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24F2N4O3
Molecular Weight 406.43
AlogP 1.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 81.75
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR ADAMTS5 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 123-1158 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- 19-63 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL4650334
FDA SRS EI4HZ6P03E
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