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Compound Detail

CHEMBL3594191

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C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594191
Phase Preclinical
Structure Type MOL
InChI Key AACLWACKHXOGDA-URPMGSGRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
1.72
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16O3
MW 208.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 2.71

Literature References

PubMed DOI Target Context # Activities
26110443 10.1021/np500951s NON-PROTEIN TARGET 2
26110443 10.1021/np500951s Coxsackievirus B3 1

Data from ChEMBL 36 via Core Engine