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Compound Detail

CHEMBL3219769

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O=C(N1N=C(c2ccccn2)CC1c1ccccc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3219769
Phase Preclinical
Structure Type MOL
InChI Key WQZXYLNLQBPILA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.32
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12F3N3O
MW 319.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00077J MDA-MB-231 1
- 10.1039/C3MD00077J HT-29 1

Data from ChEMBL 36 via Core Engine