Compound Detail
CHEMBL19169
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Basic Information
| ChEMBL ID | CHEMBL19169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGYDRGZVXVVZQC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
2.83
ALogP
3
HBA
2
HBD
84.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.66 | 7.3 | 22.0 | 3 |
| Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198 | Ki | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 22.0 | nM | 7.66 | Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... | - |
| Rattus norvegicus | IC50 | = | 30.3 | nM | 7.52 | Inhibitory concentration against methoxamine-induced contractions in rat aorta | 9464357 |
| Sulfonylurea receptor 2, Kir6.2 | Ki | = | 99.0 | nM | 7.0 | Binding affinity was determined by displacement of [3H]P1075 from its binding si... | 9464357 |
| Rattus norvegicus | IC50 | = | 190.0 | nM | 6.72 | In vitro inhibitory concentration that relaxes KCL induced contraction in rat de... | 10737752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80661-7 | Rattus norvegicus | 5 |
| 10737752 | 10.1021/jm9905099 | Rattus norvegicus | 3 |
| 9464357 | 10.1021/jm970762d | Sulfonylurea receptor 2, Kir6.2 | 2 |
| 9464357 | 10.1021/jm970762d | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine