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Compound Detail

CHEMBL5753001

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O=C(O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL5753001
Phase Preclinical
Structure Type MOL
InChI Key CLACBXJUUICJKS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
2.97
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN4O3
MW 342.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.14

Activity Summary

IC50 1 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 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4C IC50 = 550.0 nM 6.26 Enzymatic Assay: The ability of test compounds to inhibit the activity of JMJD2C... -

Data from ChEMBL 36 via Core Engine