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Compound Detail

CHEMBL5276370

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C=CC(=O)C1CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1

Basic Information

ChEMBL ID CHEMBL5276370
Phase Preclinical
Structure Type MOL
InChI Key WNKDQRDTZMQKLQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.51
ALogP
7
HBA
1
HBD
96.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6O2
MW 378.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5B
CHEMBL3774295
IC50 6.74 6.74 184.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5B IC50 = 184.0 nM 6.74 Inhibition of KDM5B (unknown origin) 32883639

Literature References

PubMed DOI Target Context # Activities
32883639 10.1016/j.ejmech.2020.112760 Lysine-specific demethylase 5B 1

Data from ChEMBL 36 via Core Engine