Compound Detail
CHEMBL5177479
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Basic Information
| ChEMBL ID | CHEMBL5177479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDLJLCJWRSXODQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 7.77 | 7.675 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at human GPR39 receptor expressed in CHO cells assessed as incr... | 35123006 |
| G-protein coupled receptor 39 | EC50 | = | 26.0 | nM | 7.58 | Agonist activity at human GPR39 receptor expressed in CHO cells assessed as incr... | 35123006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35123006 | 10.1016/j.bmcl.2022.128607 | G-protein coupled receptor 39 | 6 |
| 35123006 | 10.1016/j.bmcl.2022.128607 | SH-SY5Y | 2 |
Data from ChEMBL 36 via Core Engine