Compound Detail
CHEMBL1682261
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Basic Information
| ChEMBL ID | CHEMBL1682261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTXDJDQSFFMTPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.0
MW (Da)
5.99
ALogP
5
HBA
0
HBD
34.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 35000.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luc... | 21316962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316962 | 10.1016/j.bmcl.2011.01.082 | Cannabinoid receptor 1 | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | No relevant target | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | ADMET | 1 |
| 21316962 | 10.1016/j.bmcl.2011.01.082 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine