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Compound Detail

CHEMBL5752802

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CN[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C#N)cc3)n(-c3ccc(Br)cc3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5752802
Phase Preclinical
Structure Type MOL
InChI Key OQVWEZJCTSABNK-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.4
MW (Da)
4.00
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22BrN5O
MW 464.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 100.0 nM 7.0 Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... -

Data from ChEMBL 36 via Core Engine