Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL319075

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NO)C1CCS(=O)(=O)N1Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319075
Phase Preclinical
Structure Type MOL
InChI Key LLVLFZAKVKFNSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
3.07
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2N2O4S
MW 415.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
15163180 10.1021/jm049833g Interstitial collagenase 1
15163180 10.1021/jm049833g 72 kDa type IV collagenase 1
15163180 10.1021/jm049833g Matrix metalloproteinase-9 1
15163180 10.1021/jm049833g Collagenase 3 1

Data from ChEMBL 36 via Core Engine