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Compound Detail

CHEMBL4793220

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CNc1nc2ccc(C(F)(F)F)cc2n2c(-c3ccc(O)c(O)c3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793220
Phase Preclinical
Structure Type MOL
InChI Key UQURPFKMFCCGJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.3
MW (Da)
4.02
ALogP
6
HBA
3
HBD
82.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F3N4O2
MW 374.32
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
33309473 10.1016/j.ejmech.2020.113031 A-375 1

Data from ChEMBL 36 via Core Engine