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Compound Detail

CHEMBL321055

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Cc1ccccc1-c1ccc(CN2C(C(=O)NO)CCS2(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321055
Phase Preclinical
Structure Type MOL
InChI Key QDICWLMZEKDVEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.07
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.65
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 C18H20N2O4S
MW 360.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.84

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