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Compound Detail

CHEMBL157592

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O=C(N[C@H](Cc1ccccc1)C(=O)NO)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157592
Phase Preclinical
Structure Type MOL
InChI Key ISEJBTOGHVVSRR-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.20
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O3
MW 360.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
9484512 10.1021/jm9707582 Matrix metalloproteinase-9 1
9484512 10.1021/jm9707582 72 kDa type IV collagenase 1

Data from ChEMBL 36 via Core Engine