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Compound Detail

CHEMBL198369

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O=C(CNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198369
Phase Preclinical
Structure Type MOL
InChI Key WYHLNOVSWIQGEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
1.92
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.54
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 C14H13ClN2O5S
MW 356.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.25

Activity Summary

Ki 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interstitial collagenase
CHEMBL332
 Ki 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interstitial collagenase Ki = 70.0 nM 7.16 Binding affinity towards (MMP-1) matrix metalloprotease-1 16220975

Literature References

PubMed DOI Target Context # Activities
16220975 10.1021/jm050196j Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine