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Compound Detail

CHEMBL1096405

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CCOC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1C(=O)OC)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096405
Phase Preclinical
Structure Type MOL
InChI Key CWNYJIIJBXAQQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
1.17
ALogP
7
HBA
1
HBD
118.7
PSA (Ų)
0.65
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 C16H13N3O6
MW 343.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.81

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