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Compound Detail

CHEMBL1720056

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O=c1[nH]c(SCc2ccc(OC(F)(F)F)cc2)nc2c1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1720056
Phase Preclinical
Structure Type MOL
InChI Key RWAABDCMXWMEQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
3.45
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.68
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 C15H13F3N2O2S
MW 342.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
22018790 10.1016/j.bmcl.2011.09.077 Collagenase 3 1

Data from ChEMBL 36 via Core Engine