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Compound Detail

CHEMBL6064953

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CCc1ccc(-n2nc(C(=O)N3CCC[C@@H](NC)C3)cc2-c2ccc(C#N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6064953
Phase Preclinical
Structure Type MOL
InChI Key KXRWTQZXJKVRRT-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.80
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O
MW 413.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 47.0 nM 7.33 Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... -

Data from ChEMBL 36 via Core Engine