Compound Detail
CHEMBL5279994
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Basic Information
| ChEMBL ID | CHEMBL5279994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOLGHANNFIVAPZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
5.62
ALogP
4
HBA
2
HBD
62.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.8
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 9.8 | 9.785 | 0.2 | 2 |
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.85 | hr | Homo sapiens |
| T1/2 | 2.883 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 0.1585 | nM | 9.8 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Somatostatin receptor type 2 | EC50 | = | 0.17 | nM | 9.77 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Somatostatin receptor type 4 | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at human SST4 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of hERG by fluorescence polarization assay | 36655128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Unchecked | 4 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 2 | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | ADMET | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 1 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 3 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 4 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 5 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine