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Compound Detail

CHEMBL192436

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O=C1N(Cc2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL192436
Phase Preclinical
Structure Type MOL
InChI Key UFYFCMHCOWAKPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

516.3
MW (Da)
5.37
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.47
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 C22H16Br2N2OS
MW 516.26
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 6.0 6.0 993.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15801840 10.1021/jm049263k Cannabinoid receptor 1 3
15801840 10.1021/jm049263k Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine