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Compound Detail

CHEMBL94828

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COc1ccc(NS(=O)(=O)c2ccccc2C(=O)NO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94828
Phase Preclinical
Structure Type MOL
InChI Key UNYWJVNGOZMHAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
1.62
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O5S
MW 322.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
11133099 10.1016/s0960-894x(00)00584-9 72 kDa type IV collagenase 1
11133099 10.1016/s0960-894x(00)00584-9 Collagenase 3 1
11133099 10.1016/s0960-894x(00)00584-9 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine