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Compound Detail

CHEMBL1528707

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Cc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12

Basic Information

ChEMBL ID CHEMBL1528707
Phase Preclinical
Structure Type MOL
InChI Key RQSNRKFSTICTSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.52
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N2O
MW 306.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.82 5.82 1530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1530.0 nM 5.82 PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... -

Data from ChEMBL 36 via Core Engine