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Compound Detail

CHEMBL3288968

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Nc1cccc(Nc2cccc(C(F)(F)F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288968
Phase Preclinical
Structure Type MOL
InChI Key DONFPAQSRAQSRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
4.03
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.79
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 C13H11F3N2
MW 252.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
24794744 10.1016/j.bmc.2014.04.008 Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine