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Compound Detail

CHEMBL34666

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Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34666
Phase Preclinical
Structure Type MOL
InChI Key NKZQXGVLDOUMQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

516.5
MW (Da)
4.47
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F3N4O4S
MW 516.50
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
12668018 10.1016/s0960-894x(03)00127-6 Interstitial collagenase 1
12668018 10.1016/s0960-894x(03)00127-6 Matrix metalloproteinase-9 1
12668018 10.1016/s0960-894x(03)00127-6 Collagenase 3 1
12668018 10.1016/s0960-894x(03)00127-6 Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine