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Compound Detail

CHEMBL2296786

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COc1ccc(-c2c(F)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296786
Phase Preclinical
Structure Type MOL
InChI Key SKFVVHBSUDLZAV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.3
MW (Da)
5.12
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.57
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 C22H21Cl2FN4O2
MW 463.34
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

Ki 2 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
 Ki 7.74 7.74 18.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 18.2 nM 7.74 Antagonist activity at CB1 receptor (unknown origin) -
Cannabinoid receptor 1 Ki = 18.2 nM 7.74 Antagonist activity at CB1 receptor (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0418-y Cannabinoid receptor 1 2

Data from ChEMBL 36 via Core Engine