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Compound Detail

CHEMBL4567032

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CC(C)c1c(Cc2ccccc2)[nH]c2c(C#N)cnn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567032
Phase Preclinical
Structure Type MOL
InChI Key OZMUPYKITYWSGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.61
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O
MW 292.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 7.92 7.92 11.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 11.9 nM 7.92 Inhibition of KDM5A (unknown origin) 27406798

Literature References

PubMed DOI Target Context # Activities
27406798 10.1016/j.bmcl.2016.06.078 Unchecked 1
27406798 10.1016/j.bmcl.2016.06.078 Lysine-specific demethylase 5A 1

Data from ChEMBL 36 via Core Engine