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Compound Detail

CHEMBL3416222

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O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C/c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416222
Phase Preclinical
Structure Type MOL
InChI Key JNFNVGACTRPCEX-XSFVSMFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.40
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15NO4
MW 369.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II
CHEMBL2095191
 IC50 4.86 4.86 13900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase II IC50 = 13900.0 nM 4.86 Inhibition of CK2 kinase (unknown origin) using RRRDDDSDDD as substrate after 10... 25912672

Literature References

PubMed DOI Target Context # Activities
25912672 10.1016/j.ejmech.2015.04.032 Casein kinase II 1

Data from ChEMBL 36 via Core Engine