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Compound Detail

CHEMBL440398

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

Basic Information

ChEMBL ID CHEMBL440398
Phase Preclinical
Structure Type MOL
InChI Key SIMKLZXUJGLRHO-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
0.15
ALogP
7
HBA
3
HBD
141.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O7S2
MW 414.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
18086526 10.1016/j.bmcl.2007.11.119 72 kDa type IV collagenase 1
18086526 10.1016/j.bmcl.2007.11.119 Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine