Compound Detail
CHEMBL115565
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Basic Information
| ChEMBL ID | CHEMBL115565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NURMJRRGLNBYOV-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.29
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
EC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 8 CHEMBL1944490 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.12 | 6.11 | 760.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.37 | 4.37 | 43100.0 | 1 |
| Molecular identity unknown CHEMBL612546 | EC50 | 4.36 | 4.36 | 43300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 760.0 | nM | 6.12 | Concentration required to inhibit insulin release in rat pancreatic islets by 50... | 16033278 |
| ATP-binding cassette sub-family C member 8 | IC50 | = | 760.0 | nM | 6.12 | Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-in... | 22077416 |
| Rattus norvegicus | IC50 | = | 800.0 | nM | 6.1 | Concentration required to inhibit insulin release in rat | 12852765 |
| Rattus norvegicus | EC50 | = | 43100.0 | nM | 4.37 | Concentration required to relax KCl induced rat aorta ring contractions by 50% u... | 16033278 |
| Molecular identity unknown | EC50 | = | 43300.0 | nM | 4.36 | Activation of KATP channel in K+-depolarized rat aortic rings assessed as relaxa... | 22077416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852765 | 10.1021/jm021117w | Rattus norvegicus | 7 |
| 16033278 | 10.1021/jm0580050 | Rattus norvegicus | 6 |
| 21428460 | 10.1021/jm200100c | Unchecked | 4 |
| 22077416 | 10.1021/jm200786z | ATP-binding cassette sub-family C member 8 | 4 |
| 15887958 | 10.1021/jm0311339 | No relevant target | 2 |
| 12852765 | 10.1021/jm021117w | No relevant target | 1 |
| 22077416 | 10.1021/jm200786z | Molecular identity unknown | 1 |
| 22077416 | 10.1021/jm200786z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine