Compound Detail
CHEMBL429055
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Basic Information
| ChEMBL ID | CHEMBL429055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLFLZSQBPHMIBS-GKFVBPDJSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.6
MW (Da)
6.66
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.59
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2111385 | Ki | 8.59 | 7.605 | 2.6 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Mus musculus CHEMBL375 | EC50 | 7.96 | 7.96 | 10.9 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.93 | 7.93 | 11.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor | Ki | = | 2.6 | nM | 8.59 | Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand ... | 9357529 |
| Cannabinoid receptor 1 | Ki | = | 7.3 | nM | 8.14 | Binding affinity against the cannabinoid receptor | 9057852 |
| Mus musculus | EC50 | = | 10.9 | nM | 7.96 | Effective concentration that causes twitch inhibition in a mouse vas deferens as... | 9357529 |
| Cannabinoid receptor 1 | Ki | = | 11.7 | nM | 7.93 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor | Ki | = | 238.0 | nM | 6.62 | Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioliga... | 9357529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357529 | 10.1021/jm9702950 | Cannabinoid receptor | 2 |
| 9357529 | 10.1021/jm9702950 | Mus musculus | 2 |
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 2 |
| 10328303 | 10.1016/s0960-894x(99)00148-1 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine