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Compound Detail

CHEMBL1812159

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CC1=C(OCC(=O)c2ccc(C)c(C)c2)c2ccccc2C(=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812159
Phase Preclinical
Structure Type MOL
InChI Key WRNSQRIEWVAHGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.70
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.63
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 C21H18O4
MW 334.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
21600681 10.1016/j.ejmech.2011.04.059 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine