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Compound Detail

CHEMBL468660

ANHYDROQUASSIN
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COC1=C[C@@H](C)[C@@H]2C[C@H]3OC=C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468660
Name ANHYDROQUASSIN
Phase Preclinical
Structure Type MOL
InChI Key OAQOMMAQCRZTLU-KCNLDMQWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
3.42
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28O5
MW 372.46
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.30

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14640524 10.1021/np030107a Plasmodium falciparum 1
14640524 10.1021/np030107a KB 1
14640524 10.1021/np030107a Unchecked 1

Data from ChEMBL 36 via Core Engine