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Compound Detail

CHEMBL4061676

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CC(C)C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061676
Phase Preclinical
Structure Type MOL
InChI Key XUOCHQJRNWAHTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
1.52
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N4O2
MW 292.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 6.69 6.69 204.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 204.0 nM 6.69 Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculo... 28512031

Literature References

PubMed DOI Target Context # Activities
28512031 10.1016/j.bmcl.2017.05.016 Lysine-specific demethylase 5A 2

Data from ChEMBL 36 via Core Engine