Compound Detail
CHEMBL201602
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Basic Information
| ChEMBL ID | CHEMBL201602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXMNBHPNQQLFMV-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
5
PK Parameters
9
Publications
0
Known Names
Molecular Properties
453.2
MW (Da)
5.43
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.22 | 9.11 | 0.6 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 32.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 7.0 | % | Rattus norvegicus |
| T1/2 | 4.7 | hr | Rattus norvegicus |
| T1/2 | 39.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]SR-141716 from human CB1 receptor transfected in HEK293 cell... | 16263283 |
| Cannabinoid receptor 1 | Ki | = | 0.6 | nM | 9.22 | Binding affinity to CB1 receptor | 19351113 |
| Cannabinoid receptor 1 | Ki | = | 1.0 | nM | 9.0 | Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]... | 16263283 |
| Cannabinoid receptor 1 | Ki | = | 1.0 | nM | 9.0 | Antagonist activity at human CB1 receptor expressed in CHOK1 cells assessed as i... | 19351113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Rattus norvegicus | 7 |
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Canis familiaris | 3 |
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Cannabinoid receptor 1 | 2 |
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 1 | 2 |
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Cannabinoid receptor 2 | 1 |
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Mus musculus | 1 |
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 2 | 1 |
| 19351113 | 10.1021/jm900255t | Rattus norvegicus | 1 |
| 19351113 | 10.1021/jm900255t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine