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Compound Detail

CHEMBL521960

INUVISCOLIDE
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C=C1C(=O)O[C@H]2CC(=C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@H]12

Basic Information

ChEMBL ID CHEMBL521960
Name INUVISCOLIDE
Phase Preclinical
Structure Type MOL
InChI Key GTYUWNQOOLJZBM-XLFUENPSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.21
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.41
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 C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 3.64

Activity Summary

IC50 2 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.02 4.84 9640.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.bse.2012.02.012 Myzus persicae 7
10217718 10.1021/np980132u Mus musculus 2
21894898 10.1021/np200319x RAW264.7 2
21924800 10.1016/j.ejmech.2011.08.047 RAW264.7 2

Data from ChEMBL 36 via Core Engine