Compound Detail
CHEMBL570623
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CN(C)CCN1CCN(/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)CC1
Basic Information
| ChEMBL ID | CHEMBL570623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOGBIKQPUNTKNS-VBMGMRCRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
613.6
MW (Da)
4.72
ALogP
5
HBA
0
HBD
71.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.6
Ki 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Kd | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 9.6 | nM | 8.02 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells | 20047331 |
| Cannabinoid receptor 1 | Kd | = | 25.12 | nM | 7.6 | Antagonist activity at human CB1 receptor expressed in CHO cells assessed as inh... | 20047331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20047331 | 10.1021/jm901614b | Cannabinoid receptor 1 | 2 |
| 20047331 | 10.1021/jm901614b | No relevant target | 2 |
| 20047331 | 10.1021/jm901614b | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine