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Compound Detail

CHEMBL278236

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Cc1c(C(=O)NCCc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL278236
Phase Preclinical
Structure Type MOL
InChI Key DIANOARMAWVYSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.3
MW (Da)
7.43
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19Cl4N3O
MW 519.26
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 33.0 nM 7.48 Evaluated for binding affinity towards human Cannabinoid receptor 1 14980654

Literature References

PubMed DOI Target Context # Activities
14980654 10.1016/j.bmcl.2003.12.068 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine