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Compound Detail

CHEMBL520315

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O=C1NCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL520315
Phase Preclinical
Structure Type MOL
InChI Key MEVYMDOLNBEXMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
3.97
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2N3O2
MW 374.23
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 7.08 7.08 83.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 83.0 nM 7.08 Binding affinity to CB1 receptor 19351113

Literature References

PubMed DOI Target Context # Activities
19351113 10.1021/jm900255t Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine