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Compound Detail

CHEMBL78919

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COc1ccccc1CC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL78919
Phase Preclinical
Structure Type MOL
InChI Key OGYHNTDCEFBNGN-COPCDDAFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
3.23
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N3O5
MW 469.58
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00425-S Stromelysin-1 1
- 10.1016/0960-894X(95)00425-S Interstitial collagenase 1
- 10.1016/0960-894X(95)00425-S 72 kDa type IV collagenase 1

Data from ChEMBL 36 via Core Engine