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Compound Detail

CHEMBL452584

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COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452584
Phase Preclinical
Structure Type MOL
InChI Key MXMAVZMWYSUCJZ-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.23
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O5
MW 426.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
17719700 10.1016/j.ejmech.2007.07.002 Interstitial collagenase 1
17719700 10.1016/j.ejmech.2007.07.002 72 kDa type IV collagenase 1
17719700 10.1016/j.ejmech.2007.07.002 Stromelysin-1 1
17719700 10.1016/j.ejmech.2007.07.002 Matrilysin 1
17719700 10.1016/j.ejmech.2007.07.002 Neutrophil collagenase 1
17719700 10.1016/j.ejmech.2007.07.002 Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine