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Compound Detail

CHEMBL2040559

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CC(C)(C)OC(=O)/C(O)=C/C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2040559
Phase Preclinical
Structure Type MOL
InChI Key MAUPBVAGMVTSHF-XFXZXTDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.65
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.39
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 C14H16O4
MW 248.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
22211528 10.1021/cb200439z Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine