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Compound Detail

CHEMBL1097048

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CCOC(=O)c1n[nH]c2c1C(=O)N(c1ccc(Cl)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1097048
Phase Preclinical
Structure Type MOL
InChI Key BOYYKGJYPWFBRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.7
MW (Da)
2.04
ALogP
5
HBA
1
HBD
92.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClN3O4
MW 319.70
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
M-phase inducer phosphatase 2
CHEMBL4804
 IC50 4.43 4.43 37400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
M-phase inducer phosphatase 2 IC50 = 37400.0 nM 4.43 Inhibition of CDC25B 20363629

Literature References

PubMed DOI Target Context # Activities
20363629 10.1016/j.bmcl.2010.03.040 M-phase inducer phosphatase 2 1

Data from ChEMBL 36 via Core Engine