Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3037799

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1=C[C@@H]2SC(=C1)/C=C(\C)CC/C=C(\C)CC[C@H]2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3037799
Phase Preclinical
Structure Type MOL
InChI Key CDCCHUJOQQLBNW-YVORUKNWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
6.67
ALogP
1
HBA
0
HBD
0.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30S
MW 302.53
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.76

Activity Summary

EC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hippocampus
CHEMBL613631
 EC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hippocampus EC50 = 31.0 nM 7.51 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 1

Data from ChEMBL 36 via Core Engine