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Compound Detail

CHEMBL5943726

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Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)c(F)c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5943726
Phase Preclinical
Structure Type MOL
InChI Key TVGJUCQSBHISHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
5.59
ALogP
4
HBA
3
HBD
70.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36F2N4O
MW 518.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 19.0 nM 7.72 TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... -

Data from ChEMBL 36 via Core Engine