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Compound Detail

CHEMBL5951979

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Cc1ccc2c(c1)c(Nc1cnccc1C(=O)O)nn2CCC(F)(F)F

Basic Information

ChEMBL ID CHEMBL5951979
Phase Preclinical
Structure Type MOL
InChI Key KTXTWMVOBPWQQA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
4.13
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F3N4O2
MW 364.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.39

Activity Summary

IC50 3 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine