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Compound Detail

CHEMBL5784930

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CCc1cccn([C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5784930
Phase Preclinical
Structure Type MOL
InChI Key GEFVOERIMAPFCN-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.34
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4O2
MW 328.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 10.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.41 10.41 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.039 nM 10.41 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine