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Compound Detail

CHEMBL27934

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C=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)OC)cc2)CC1

Basic Information

ChEMBL ID CHEMBL27934
Phase Preclinical
Structure Type MOL
InChI Key RIWKHOKEBHPMFV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.37
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O2
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Delta-type opioid receptor
CHEMBL236
IC50 6.22 6.22 607.0 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