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Compound Detail

CHEMBL5829576

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CC(C)Oc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5829576
Phase Preclinical
Structure Type MOL
InChI Key CTDHTIBLOGVFNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.96
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O3
MW 384.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.93

Activity Summary

IC50 1 meas. best 10.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.04 10.04 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.092 nM 10.04 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine