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Compound Detail

CHEMBL3355821

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CCOC(=O)Cn1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3355821
Phase Preclinical
Structure Type MOL
InChI Key CEPGUJSNEAINDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
3.02
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3N5O2
MW 379.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
25462277 10.1016/j.ejmech.2014.10.080 NON-PROTEIN TARGET 2
25462277 10.1016/j.ejmech.2014.10.080 T47D 1

Data from ChEMBL 36 via Core Engine