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Compound Detail

CHEMBL4171467

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CC(C)CNC(=O)c1c(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171467
Phase Preclinical
Structure Type MOL
InChI Key GMYLGBKMXLKSKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
3.48
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F4N4O3
MW 444.43
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.60

Literature References

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

Data from ChEMBL 36 via Core Engine