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Compound Detail

CHEMBL2031106

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CCn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2031106
Phase Preclinical
Structure Type MOL
InChI Key BZUPVJUPNAZPNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.2
MW (Da)
2.74
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.92
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 C13H10F3NO3
MW 285.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
22376072 10.1021/jm101439s Trypanosoma brucei brucei 2
22376072 10.1021/jm101439s Unchecked 1
22376072 10.1021/jm101439s ADMET 1

Data from ChEMBL 36 via Core Engine