Compound Detail
CHEMBL5428306
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Basic Information
| ChEMBL ID | CHEMBL5428306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCCOGNCJKNCXMI-GFCCVEGCSA-N |
2
Targets
3
Activities
1
Assay Types
6
PK Parameters
9
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.96
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 9.62 | 8.915 | 0.2 | 2 |
| Unchecked CHEMBL612545 | EC50 | 8.75 | 8.75 | 1.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 238.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 6.6 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 36.9 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 225.0 | nM | Rattus norvegicus |
| F | 23.2 | % | Rattus norvegicus |
| T1/2 | 1.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 0.239 | nM | 9.62 | Agonist activity at human GPR55 expressed in human HEK293 cells assessed as effe... | 37708305 |
| Unchecked | EC50 | = | 1.76 | nM | 8.75 | Agonist activity at rat GPR55 expressed in human HEK293 cells assessed as effect... | 37708305 |
| G-protein coupled receptor 55 | EC50 | = | 6.2 | nM | 8.21 | Agonist activity at human GPR55 expressed in human HEK293 cells assessed as beta... | 37708305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708305 | 10.1021/acs.jmedchem.3c00784 | ADMET | 19 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | G-protein coupled receptor 55 | 4 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Unchecked | 2 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Sodium-dependent dopamine transporter | 1 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Sodium-dependent noradrenaline transporter | 1 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Cannabinoid receptor 1 | 1 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Cannabinoid receptor 2 | 1 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | D(1A) dopamine receptor | 1 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine