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Compound Detail

CHEMBL4580239

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O=C(CCCCNCc1ccc(O)c2ncccc12)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580239
Phase Preclinical
Structure Type MOL
InChI Key KPZOFDQMVMCUIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.84
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
31415980 10.1016/j.ejmech.2019.111563 Matrix metalloproteinase-9 2
31415980 10.1016/j.ejmech.2019.111563 72 kDa type IV collagenase 2

Data from ChEMBL 36 via Core Engine