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Compound Detail

CHEMBL6016242

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O=C(OCc1ccccc1)N1CCC(F)(CNC2CC2c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL6016242
Phase Preclinical
Structure Type MOL
InChI Key HVAHEEBZCZTWSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.27
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN2O2
MW 382.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 8.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 8.98 8.98 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine