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Compound Detail

CHEMBL3221656

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C=C(C)[C@@H]1OO[C@]2(O[C@H]1CCC)[C@H]1CC3C[C@@H](C1)C[C@H]2C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221656
Phase Preclinical
Structure Type MOL
InChI Key MMWYGSOBGHMOPP-WMWUUPLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.23
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.58
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 C18H28O3
MW 292.42
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00277A Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine