Compound Detail
CHEMBL542407
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Basic Information
| ChEMBL ID | CHEMBL542407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDZLXGQGHYHUSW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191328 |
| Active Moiety | CHEMBL1191328 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
3.08
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.05
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | EC50 | = | 90.0 | nM | 7.05 | Inhibition of the constrictor response to electrical stimulation in rabbit ear a... | 2871192 |
| Rattus norvegicus | IC50 | = | 1400.0 | nM | 5.85 | In vitro inhibition of dopamine stimulated production of [14C]-cAMP from [14C]-A... | 2878077 |
| Rattus norvegicus | EC50 | = | 22000.0 | nM | 4.66 | In vitro dose stimulating D-1 adenylate cyclase in rat caudate nuclei | 2878077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878077 | 10.1021/jm00161a029 | Rattus norvegicus | 3 |
| 2871192 | 10.1021/jm00155a024 | Oryctolagus cuniculus | 1 |
| 2871192 | 10.1021/jm00155a024 | Rattus norvegicus | 1 |
| 2878077 | 10.1021/jm00161a029 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine