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Compound Detail

CHEMBL2040558

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COc1ccc2c(c1)CC(C(=O)C(=O)O)=C2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2040558
Phase Preclinical
Structure Type MOL
InChI Key VOYYWEMYMYOLCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.2
MW (Da)
1.17
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.77
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 C12H10O5
MW 234.21
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.42

Literature References

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

Data from ChEMBL 36 via Core Engine