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Compound Detail

CHEMBL2315182

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CCOC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315182
Phase Preclinical
Structure Type MOL
InChI Key SPYGVAJJIZFYHF-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.04
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.41
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 C19H18O5
MW 326.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
23291118 10.1016/j.ejmech.2012.11.043 Radical scavenging activity 2
23291118 10.1016/j.ejmech.2012.11.043 Rattus norvegicus 2
23291118 10.1016/j.ejmech.2012.11.043 No relevant target 1
23291118 10.1016/j.ejmech.2012.11.043 Unchecked 1

Data from ChEMBL 36 via Core Engine