Compound Detail
CHEMBL2069501
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Basic Information
| ChEMBL ID | CHEMBL2069501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGAPWJRMEQDHGG-JOCHJYFZSA-N |
3
Targets
3
Activities
2
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
4.71
ALogP
4
HBA
3
HBD
75.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Kd 1 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 8.69 | 8.69 | 2.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.75 | 6.75 | 176.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 5.82 | 5.82 | 1526.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 130.0 | nM | Mus musculus |
| F | 4.0 | % | Mus musculus |
| T1/2 | 0.54 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 2.042 | nM | 8.69 | Antagonist activity at human SST3 receptor | 24900466 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 176.0 | nM | 6.75 | Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 min... | 24900466 |
| Voltage-gated L-type calcium channel | IC50 | = | 1526.0 | nM | 5.82 | Binding affinity to L-type calcium channel | 24900466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900466 | 10.1021/ml200272z | Mus musculus | 6 |
| 24900466 | 10.1021/ml200272z | Unchecked | 4 |
| 24900466 | 10.1021/ml200272z | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24900466 | 10.1021/ml200272z | Voltage-gated L-type calcium channel | 1 |
| 24900466 | 10.1021/ml200272z | Somatostatin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine