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Compound Detail

CHEMBL1802985

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FC(F)(F)c1ccc2c(c1)[nH]c1ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1802985
Phase Preclinical
Structure Type MOL
InChI Key ONHBFBGGGVFESA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
3.73
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7F3N2
MW 236.20
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
21599002 10.1021/jm200448n Kinesin-like protein KIF11 1
21599002 10.1021/jm200448n HeLa 1

Data from ChEMBL 36 via Core Engine