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Compound Detail

CHEMBL3594186

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C=C1[C@@H]2C[C@@H]2[C@@]2(C)C=C3OC(=O)C(C)=C3[C@@H](O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594186
Phase Preclinical
Structure Type MOL
InChI Key BMSHIMSHONQYAQ-WLGFQKAXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
1.95
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16O3
MW 244.29
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.97

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