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Compound Detail

CHEMBL2407300

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CO[C@]1(C)/C=C/[C@H](C(C)C)CC/C(C)=C\CC[C@]2(C)O[C@@H]2[C@H](O)C1

Basic Information

ChEMBL ID CHEMBL2407300
Phase Preclinical
Structure Type MOL
InChI Key TWRIPAVLXRTSCN-JXFGJMBUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
4.65
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36O3
MW 336.52
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 3.41

Activity Summary

EC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hippocampus
CHEMBL613631
EC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hippocampus EC50 = 14.0 nM 7.85 Neuroprotective activity in Sprague-Dawley rat hippocampal slice assessed as rev... 23769165

Literature References

PubMed DOI Target Context # Activities
23769165 10.1016/j.bmc.2013.05.018 Hippocampus 2

Data from ChEMBL 36 via Core Engine