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Compound Detail

CHEMBL1165255

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CC(C)COc1cccc2occ(C(=O)O)c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165255
Phase Preclinical
Structure Type MOL
InChI Key VYMRUWVXDWYGQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
2.53
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.92
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 C14H14O5
MW 262.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine