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Compound Detail

CHEMBL5865928

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Nc1ccccc1NC(=O)/C=C/c1cnc2ccccn12

Basic Information

ChEMBL ID CHEMBL5865928
Phase Preclinical
Structure Type MOL
InChI Key UZQYPFBBVPDDBV-CMDGGOBGSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.57
ALogP
4
HBA
2
HBD
72.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.47

Activity Summary

IC50 4 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 2
CHEMBL1937
IC50 5.12 5.12 7500.0 2
Histone deacetylase 1
CHEMBL325
IC50 5.12 5.12 7500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine