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Compound Detail

CHEMBL607276

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CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607276
Phase Preclinical
Structure Type MOL
InChI Key JUBNVWGVNWIXMB-DLBZAZTESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
4.47
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24Cl2N2O
MW 355.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
 IC50 5.12 5.12 7551.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sigma non-opioid intracellular receptor 1 IC50 = 7551.0 nM 5.12 Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand 2172538

Literature References

PubMed DOI Target Context # Activities
2172538 10.1021/jm00173a030 Kappa-type opioid receptor 2
2172538 10.1021/jm00173a030 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine