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Compound Detail

CHEMBL3594247

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CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594247
Phase Preclinical
Structure Type MOL
InChI Key IZGYIFFQBZWOLJ-UUZREKTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
1.46
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O5
MW 280.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.72

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