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Compound Detail

CHEMBL189160

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O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL189160
Phase Preclinical
Structure Type MOL
InChI Key UASAQYLINUGGDE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.2
MW (Da)
5.21
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.50
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16Br2N2O2
MW 500.19
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 5.46 5.46 3467.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15801840 10.1021/jm049263k Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine