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Compound Detail

CHEMBL252102

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CCCOc1ccc(S(=O)(=O)N2CC(N3C(=O)CN(C)C3=O)C[C@@H]2C(=O)NO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252102
Phase Preclinical
Structure Type MOL
InChI Key NGILBKZKRQUURV-WPZCJLIBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
0.01
ALogP
7
HBA
2
HBD
136.6
PSA (Ų)
0.35
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 C18H24N4O7S
MW 440.48
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrilysin
CHEMBL4073
 IC50 5.59 5.59 2570.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrilysin IC50 = 2570.4 nM 5.59 Inhibition of MMP7 17275314

Literature References

PubMed DOI Target Context # Activities
17275314 10.1016/j.bmc.2007.01.011 Matrilysin 1

Data from ChEMBL 36 via Core Engine