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Compound Detail

CHEMBL108051

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Cc1c(C(=O)c2cccc3cc4ccccc4cc23)c2ccccc2n1CCN1CCOCC1

Basic Information

ChEMBL ID CHEMBL108051
Phase Preclinical
Structure Type MOL
InChI Key FKPPZBZDWCWDGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.82
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O2
MW 448.57
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 7.24 7.24 57.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 57.0 nM 7.24 Concentration required to inhibit electrically induced contractions in isolated ... 7636873

Literature References

PubMed DOI Target Context # Activities
7636873 10.1021/jm00016a013 Cannabinoid receptor 1 1
7636873 10.1021/jm00016a013 Mus musculus 1

Data from ChEMBL 36 via Core Engine