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Compound Detail

CHEMBL285244

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CCOC(=O)C1(c2ccccc2)CCN(CC)CC1

Basic Information

ChEMBL ID CHEMBL285244
Phase Preclinical
Structure Type MOL
InChI Key LBILWUCGKPKJPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
2.60
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO2
MW 261.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2095192
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor IC50 = 5000.0 nM 5.3 Tested for displacement of radioligand [3H]-Naloxone from opiate receptor 8410989

Literature References

PubMed DOI Target Context # Activities
7057419 10.1021/jm00344a011 Mus musculus 1
8410989 10.1021/jm00071a006 Opioid receptor 1

Data from ChEMBL 36 via Core Engine