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Compound Detail

CHEMBL49671

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O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49671
Phase Preclinical
Structure Type MOL
InChI Key HWLNAJHPYNDARJ-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.78
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.71
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 C22H19NO3
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.33

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
10346925 10.1021/jm980514x Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine