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Compound Detail

CHEMBL4800051

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Cc1ccc2c(n1)sc1c(=O)n(-c3cccc(C(F)(F)F)c3)c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4800051
Phase Preclinical
Structure Type MOL
InChI Key PFISTQMIWWJIJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.62
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10F3N3O2S
MW 377.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
28002966 10.1021/acs.jmedchem.6b01450 Unchecked 3

Data from ChEMBL 36 via Core Engine