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Compound Detail

CHEMBL160712

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O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160712
Phase Preclinical
Structure Type MOL
InChI Key PECSXFVCAXHEGF-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
3.79
ALogP
4
HBA
5
HBD
140.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O5S
MW 478.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.92

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