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Compound Detail

CHEMBL5877919

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CC(C)c1cc(C(=O)N2C[C@H](NC(=O)C3CC3)[C@@H](O)C2)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5877919
Phase Preclinical
Structure Type MOL
InChI Key QBDKVSVLQIWNEB-STQMWFEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
0.24
ALogP
4
HBA
3
HBD
98.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N4O3
MW 306.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 10.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.34 10.34 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.046 nM 10.34 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine