Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6043258

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6043258
Phase Preclinical
Structure Type MOL
InChI Key FPWRGPARLXITJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
5.45
ALogP
4
HBA
3
HBD
70.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H37FN4O
MW 500.66
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 6.0 nM 8.22 TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... -

Data from ChEMBL 36 via Core Engine