Compound Detail
CHEMBL142422
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Basic Information
| ChEMBL ID | CHEMBL142422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIKPOPGCYPLJSP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.3
MW (Da)
4.59
ALogP
4
HBA
3
HBD
68.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.32
EC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 6.32 | 6.32 | 476.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 6.05 | 6.05 | 894.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 5.63 | 5.63 | 2350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 476.0 | nM | 6.32 | In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells us... | 9822540 |
| Somatostatin receptor type 2 | Ki | = | 894.0 | nM | 6.05 | In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell... | 9822540 |
| ADMET | EC50 | = | 2350.0 | nM | 5.63 | Compound is tested for the inhibition of Forskolin-induced cAMP accumulation in ... | 9822540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822540 | 10.1021/jm980118e | Somatostatin receptor type 2 | 1 |
| 9822540 | 10.1021/jm980118e | Somatostatin receptor type 4 | 1 |
| 9822540 | 10.1021/jm980118e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine