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Compound Detail

CHEMBL4592344

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COc1cc(/C=N/NC(=O)CCC(C)O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4592344
Phase Preclinical
Structure Type MOL
InChI Key HYXAJALOTXIRBF-RIYZIHGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
1.01
ALogP
5
HBA
3
HBD
91.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O4
MW 266.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA repair protein RAD52 homolog
CHEMBL2362978
 IC50 6.07 6.07 849.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA repair protein RAD52 homolog IC50 = 849.0 nM 6.07 Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA intera... -

Data from ChEMBL 36 via Core Engine