Compound Detail
CHEMBL3582307
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Basic Information
| ChEMBL ID | CHEMBL3582307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMHAOFYWKWENPC-QGZVFWFLSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.08
ALogP
2
HBA
3
HBD
56.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 7.94 | 7.88 | 11.4 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | IC50 | = | 11.4 | nM | 7.94 | Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell m... | 26005524 |
| Somatostatin receptor type 3 | IC50 | = | 15.0 | nM | 7.82 | Antagonist activity against human recombinant SSTR3 expressed in CHO cells asses... | 26005524 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 290.0 | nM | 6.54 | Inhibition of MK499 binding to human ERG | 26005524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005524 | 10.1021/ml500514w | Somatostatin receptor type 3 | 2 |
| 26005524 | 10.1021/ml500514w | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine