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Compound Detail

CHEMBL445994

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

Basic Information

ChEMBL ID CHEMBL445994
Phase Preclinical
Structure Type MOL
InChI Key MYTAFXBNPKBRNX-KBPBESRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
0.83
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O2
MW 291.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.02

Literature References

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

Data from ChEMBL 36 via Core Engine