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Compound Detail

CHEMBL5763750

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O=C(/C=C/c1ccc(CNC2CC2c2ccc(OCc3ccc(F)cc3)cc2)cc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5763750
Phase Preclinical
Structure Type MOL
InChI Key YYSDWHWKHYXTIN-VGOFMYFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.57
ALogP
4
HBA
3
HBD
70.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN2O3
MW 432.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 20.0 nM 7.7 TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... -

Data from ChEMBL 36 via Core Engine