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Compound Detail

CHEMBL158674

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O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158674
Phase Preclinical
Structure Type MOL
InChI Key XDOAIHGEJMOGJF-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.04
ALogP
4
HBA
3
HBD
112.4
PSA (Ų)
0.37
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 C23H18N2O5S
MW 434.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.59

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