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Compound Detail

CHEMBL4474368

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CN(CCC(=O)Nc1ccc(O)c2ncccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474368
Phase Preclinical
Structure Type MOL
InChI Key STCVZOOEXOQGHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.41
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2
MW 321.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.38

Literature References

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

Data from ChEMBL 36 via Core Engine