Compound Detail
CHEMBL539267
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Basic Information
| ChEMBL ID | CHEMBL539267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMZKSPLMWFQAFU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189675 |
| Active Moiety | CHEMBL1189675 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
2.25
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3162.28 | nM | 5.5 | 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