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Compound Detail

CHEMBL4170432

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Cc1[nH]nc(C(N)=O)c1NC(=O)c1cc(F)c(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170432
Phase Preclinical
Structure Type MOL
InChI Key AMHINCGZXACPPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
1.49
ALogP
3
HBA
3
HBD
100.9
PSA (Ų)
0.75
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 C12H9F3N4O2
MW 298.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine