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Compound Detail

CHEMBL5984909

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COc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5984909
Phase Preclinical
Structure Type MOL
InChI Key WDBHACHRSNSIPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.97
ALogP
6
HBA
1
HBD
88.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O2
MW 394.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 10.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.03 10.03 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.094 nM 10.03 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine