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Compound Detail

CHEMBL520182

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O=C(O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O

Basic Information

ChEMBL ID CHEMBL520182
Phase Preclinical
Structure Type MOL
InChI Key FLXRKROAYLDNNO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.86
ALogP
5
HBA
3
HBD
108.6
PSA (Ų)
0.64
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 C17H12N2O5
MW 324.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.05

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Wee1-like protein kinase
CHEMBL5491
IC50 7.64 7.64 22.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Wee1-like protein kinase IC50 = 22.91 nM 7.64 Inhibition of human Wee1 18976834
Wee1-like protein kinase IC50 = 23.0 nM 7.64 Inhibition of human Wee1 18976834

Literature References

PubMed DOI Target Context # Activities
18976834 10.1016/j.ejmech.2008.09.027 Wee1-like protein kinase 2

Data from ChEMBL 36 via Core Engine