Compound Detail
CHEMBL2094045
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Basic Information
| ChEMBL ID | CHEMBL2094045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKUZOAMPJFXADT-FVGYRXGTSA-N |
| Parent Compound | CHEMBL2109793 |
| Active Moiety | CHEMBL2109793 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.4
MW (Da)
3.21
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 316.23 | nM | 6.5 | Concentration required to cause 50% inhibition of spontaneous activity in rat po... | 1613756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613756 | 10.1021/jm00090a025 | No relevant target | 2 |
| 1613756 | 10.1021/jm00090a025 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine