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Compound Detail

CHEMBL4547811

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Cc1nc2ccccc2n1CCC(=O)Nc1ccc(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4547811
Phase Preclinical
Structure Type MOL
InChI Key LKUPDFVBMOASDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.63
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O2
MW 346.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.68

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