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Compound Detail

CHEMBL6061922

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N#CNC(=O)c1ccncc1Nc1nn([C@H]2CCOC2)c2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL6061922
Phase Preclinical
Structure Type MOL
InChI Key CIVLISPQADTQPF-LBPRGKRZSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.49
ALogP
7
HBA
2
HBD
104.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15FN6O2
MW 366.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

IC50 3 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 7.3 5.94 50.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine