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Compound Detail

CHEMBL504655

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CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504655
Phase Preclinical
Structure Type MOL
InChI Key WENNXORDXYGDTP-LLRAQJMZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.7
MW (Da)
4.44
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O5
MW 490.73
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18771242 10.1021/np800161j NIH3T3 1
18771242 10.1021/np800161j Leishmania major 1

Data from ChEMBL 36 via Core Engine