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Compound Detail

CHEMBL24927

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C=CCN1CCN(C(c2ccccc2)c2ccc(-c3cccs3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL24927
Phase Preclinical
Structure Type MOL
InChI Key LIQDRNWYHJPONU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.6
MW (Da)
5.31
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2S
MW 374.55
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Delta-type opioid receptor
CHEMBL236
IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10340622 10.1016/s0960-894x(99)00173-0 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine