Compound Detail
CHEMBL549344
CPG-52852 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL549344 |
| Name | CPG-52852 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YZOQZEXYFLXNKA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
10
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
361.5
MW (Da)
2.06
ALogP
6
HBA
2
HBD
102.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Toll-like receptor 7 agonist | AGONIST | Toll-like receptor 7 | ✓ | ✓ |
Indications
Melanoma Melanoma Neoplasms
Activity Summary
EC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.58 | 5.58 | 2657.0 | 1 |
| Toll-like receptor 7 CHEMBL6085 | EC50 | 5.21 | 5.21 | 6224.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.7 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 4.7 | hr | Homo sapiens |
| T1/2 | 7.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 2657.0 | nM | 5.58 | Agonist activity at human TLR7 expressed in HEK293 cells by NFkappaB SEAP report... | 23265901 |
| Toll-like receptor 7 | EC50 | = | 6224.0 | nM | 5.21 | Agonist activity at mouse TLR7 | 23265901 |
| Hepatitis C virus | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HCV | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 4 |
| 23265901 | 10.1016/j.bmcl.2012.11.114 | NON-PROTEIN TARGET | 2 |
| 23265901 | 10.1016/j.bmcl.2012.11.114 | Toll-like receptor 7 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 23265901 | 10.1016/j.bmcl.2012.11.114 | Mus musculus | 1 |
| 23265901 | 10.1016/j.bmcl.2012.11.114 | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine