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Compound Detail

CHEMBL5796925

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O=C(O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5796925
Phase Preclinical
Structure Type MOL
InChI Key BBXQLXVLIQYCHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.83
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
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 -0.57

Activity Summary

IC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 8.11 8.11 7.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 7.83 nM 8.11 LSD1 In Vitro Activity Assay: Screening method: lysine-specific demethylase 1 (L... -

Data from ChEMBL 36 via Core Engine