Compound Detail
CHEMBL164053
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Basic Information
| ChEMBL ID | CHEMBL164053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOKXZUITCNSMFP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181315 |
| Active Moiety | CHEMBL1181315 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.08
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.19 | 6.19 | 640.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 640.0 | nM | 6.19 | Concentration necessary to cause 50% increase in cAMP formation(by adenylate cyc... | 2871192 |
| Oryctolagus cuniculus | EC50 | = | 2700.0 | nM | 5.57 | Inhibition of the constrictor response to electrical stimulation in rabbit ear a... | 2871192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2871192 | 10.1021/jm00155a024 | Oryctolagus cuniculus | 1 |
| 2871192 | 10.1021/jm00155a024 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine