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Compound Detail

CHEMBL5996359

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Nc1ccccc1NC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5996359
Phase Preclinical
Structure Type MOL
InChI Key OVEILBRYHDOBNP-LBNVMWSVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.88
ALogP
4
HBA
3
HBD
70.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34N4O
MW 454.62
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 2.0 nM 8.7 TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... -

Data from ChEMBL 36 via Core Engine