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Compound Detail

CHEMBL5796240

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CCCCc1ccn(-c2cc(C(=O)OC)ccn2)n1

Basic Information

ChEMBL ID CHEMBL5796240
Phase Preclinical
Structure Type MOL
InChI Key OWZXJIAEISCANW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.40
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O2
MW 259.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.60

Activity Summary

IC50 3 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
IC50 6.26 6.26 550.0 1
Lysine-specific demethylase 5B
CHEMBL3774295
IC50 6.26 6.26 550.0 1
Lysine-specific demethylase 4C
CHEMBL6175
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine