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Compound Detail

CHEMBL418437

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CN1C(=O)N(CC(COc2cccc(-c3ccc(C#N)cc3)c2)N(O)C=O)C(=O)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418437
Phase Preclinical
Structure Type MOL
InChI Key OTHBKTUWXHXMSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
2.49
ALogP
6
HBA
1
HBD
114.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O5
MW 436.47
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
11412980 10.1016/s0960-894x(01)00032-4 Interstitial collagenase 1
11412980 10.1016/s0960-894x(01)00032-4 72 kDa type IV collagenase 1

Data from ChEMBL 36 via Core Engine