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Compound Detail

CHEMBL159258

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CC(=O)O[C@@H]1C(=O)[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)CC(O)C(=O)[C@]4(C)[C@@H]1[C@@]32C

Basic Information

ChEMBL ID CHEMBL159258
Phase Preclinical
Structure Type MOL
InChI Key HTUPNZUADSZJNJ-RHDXXPDQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
1.69
ALogP
7
HBA
1
HBD
107.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H30O7
MW 406.48
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 3.17

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 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

Data from ChEMBL 36 via Core Engine