Compound Detail
CHEMBL4101517
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Basic Information
| ChEMBL ID | CHEMBL4101517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFYNNRAGLORXNT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 52 CHEMBL3297639 | EC50 | 7.23 | 7.23 | 59.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 267.9 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 18.82 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 28.4 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 52 | EC50 | = | 59.0 | nM | 7.23 | Agonist activity at human GPR52 expressed in CHO cells assessed as increase in c... | 28433511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28433511 | 10.1016/j.bmc.2017.03.064 | Rattus norvegicus | 3 |
| 28433511 | 10.1016/j.bmc.2017.03.064 | G-protein coupled receptor 52 | 2 |
Data from ChEMBL 36 via Core Engine