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Compound Detail

CHEMBL607278

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CN(CCc1ccccc1)[C@H]1CCCC[C@H]1N1CCCC1

Basic Information

ChEMBL ID CHEMBL607278
Phase Preclinical
Structure Type MOL
InChI Key MJMJEBIVRJGNCR-RBUKOAKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.5
MW (Da)
3.57
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2
MW 286.46
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
IC50 6.9 6.9 125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2172538 10.1021/jm00173a030 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine