Compound Detail
CHEMBL75020
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Basic Information
| ChEMBL ID | CHEMBL75020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXXOFXVEUPZZHB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
1.72
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.04
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.04 | 7.04 | 91.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 12.59 | nM | 7.9 | Concentration required to cause 50% inhibition of spontaneous activity in rat po... | 1613756 |
| Rattus norvegicus | EC50 | = | 91.2 | nM | 7.04 | Negative logarithm of the molar concentration of compound required to relax rat ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 691003 | 10.1021/jm00206a011 | Rattus norvegicus | 12 |
| 691003 | 10.1021/jm00206a011 | Canis familiaris | 10 |
| 1613756 | 10.1021/jm00090a025 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)81242-7 | Rattus norvegicus | 2 |
| 7359512 | 10.1021/jm00175a005 | Rattus norvegicus | 1 |
| 691003 | 10.1021/jm00206a011 | Mus musculus | 1 |
| 691003 | 10.1021/jm00206a011 | Felis catus | 1 |
Data from ChEMBL 36 via Core Engine