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Compound Detail

CHEMBL4174427

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COc1ccc(C2NC(=O)c3sc4nc(C)cc(C(F)(F)F)c4c3N2)c(OC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174427
Phase Preclinical
Structure Type MOL
InChI Key HWNJDKAIODQHKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
4.80
ALogP
6
HBA
2
HBD
72.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N3O3S
MW 437.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
29733999 10.1016/j.ejmech.2018.04.028 Hepatocyte 1

Data from ChEMBL 36 via Core Engine