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Compound Detail

CHEMBL499479

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C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499479
Phase Preclinical
Structure Type MOL
InChI Key VAJNXYYJUABAGJ-SQXVXACQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

554.9
MW (Da)
9.08
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H58O4
MW 554.86
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.70

Literature References

PubMed DOI Target Context # Activities
11141100 10.1021/np990633v Human immunodeficiency virus 1 1
11141100 10.1021/np990633v H9 1

Data from ChEMBL 36 via Core Engine