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Compound Detail

CHEMBL170173

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CC(=O)C(=[N+]=[N-])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170173
Phase Preclinical
Structure Type MOL
InChI Key OGGWPMZPDPHXSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
2.99
ALogP
3
HBA
0
HBD
77.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2
MW 390.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2094129
 IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor IC50 = 210.0 nM 6.68 Displacement [3H]naloxone from rat-brain Opioid receptors 6288945

Literature References

PubMed DOI Target Context # Activities
6288945 10.1021/jm00350a006 Opioid receptor 1

Data from ChEMBL 36 via Core Engine