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Compound Detail

CHEMBL405787

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C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1

Basic Information

ChEMBL ID CHEMBL405787
Phase Preclinical
Structure Type MOL
InChI Key RIVKDDXPCFBMOV-PZSVDHCGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.5
MW (Da)
4.78
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.68
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 C20H34O2
MW 306.49
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.33

Activity Summary

EC50 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hippocampus
CHEMBL613631
EC50 7.2 7.2 63.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hippocampus EC50 = 63.0 nM 7.2 Neuroprotective activity in Sprague-Dawley rat hippocampal slice assessed as rev... 23769165

Literature References

PubMed DOI Target Context # Activities
18222089 10.1016/j.bmc.2007.12.056 PC-3M 6
18222089 10.1016/j.bmc.2007.12.056 NON-PROTEIN TARGET 6
23769165 10.1016/j.bmc.2013.05.018 Hippocampus 4

Data from ChEMBL 36 via Core Engine