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Compound Detail

CHEMBL305978

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c1coc(-c2nc3ccccc3nc2-c2ccco2)c1

Basic Information

ChEMBL ID CHEMBL305978
Phase Preclinical
Structure Type MOL
InChI Key GMUROSQCXMKHEN-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
4.15
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N2O2
MW 262.27
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.79

Activity Summary

EC50 2 meas. best 4.92
IC50 1 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.92 4.92 12023.0 1
Tyrosine-protein phosphatase non-receptor type 7
CHEMBL2219
IC50 4.91 4.91 12400.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.67 4.67 21557.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8667360 10.1021/jm950727b Platelet-derived growth factor receptor 1
21478016 10.1016/j.bmcl.2011.03.042 Unchecked 1
21478016 10.1016/j.bmcl.2011.03.042 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine