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Compound Detail

CHEMBL346523

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CN1C(=O)C(Nc2ccc(Cl)c(C(=O)O)c2)=C(c2ccc(Cl)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346523
Phase Preclinical
Structure Type MOL
InChI Key BDNWHNUISAMQPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
3.51
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.78
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 C18H12Cl2N2O4
MW 391.21
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
11266159 10.1016/s0960-894x(00)00721-6 Glycogen synthase kinase-3 alpha 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine