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Compound Detail

CHEMBL345221

AMAROLIDE
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C[C@@H]1C[C@H](O)C(=O)[C@]2(C)[C@H]3[C@H](O)C(=O)[C@H](C)[C@@H]4CC(=O)O[C@H](C[C@@H]12)[C@]34C

Basic Information

ChEMBL ID CHEMBL345221
Name AMAROLIDE
Phase Preclinical
Structure Type MOL
InChI Key UNWAHVGSROASNT-HXNJGWPRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.12
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.62
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 C20H28O6
MW 364.44
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.22

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8984156 10.1021/np960013j Plasmodium falciparum 2
23290052 10.1016/j.bmcl.2012.11.116 HepG2 2
- 10.1016/0960-894X(96)00096-0 H9 1
- 10.1016/0960-894X(96)00096-0 Human immunodeficiency virus 1 1
- 10.1016/0960-894X(96)00096-0 ADMET 1
8984156 10.1021/np960013j K562 1
8984156 10.1021/np960013j KB 1
8984156 10.1021/np960013j BT-549 1
8984156 10.1021/np960013j SK-OV-3 1
8984156 10.1021/np960013j Vero 1
23290052 10.1016/j.bmcl.2012.11.116 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine