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Compound Detail

CHEMBL4462525

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Cc1[nH]c2ccccc2c1CCNC(=O)CCCNCc1ccc(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462525
Phase Preclinical
Structure Type MOL
InChI Key BCBBZGKKBLKXIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.96
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O2
MW 416.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.70

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