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Compound Detail

CHEMBL3234719

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O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3234719
Phase Preclinical
Structure Type MOL
InChI Key BUCDFNRRQGAPCD-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
2.92
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3NO3
MW 351.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.76

Activity Summary

Ki 4 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.82 5.82 1500.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24583353 10.1016/j.ejmech.2014.02.008 Unchecked 4

Data from ChEMBL 36 via Core Engine