Compound Detail
CHEMBL330997
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Basic Information
| ChEMBL ID | CHEMBL330997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWJKGTFOQGCXGH-TZMCWYRMSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.10
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Cerebral cortex alpha adrenergic receptor CHEMBL2111420 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 7.54 | 6.82 | 28.9 | 2 |
| Dopamine receptor CHEMBL2096970 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 17.0 | nM | 7.77 | Inhibitory activity against prolactin release in rat anterior pituitary cells | 6834383 |
| Cerebral cortex alpha adrenergic receptor | IC50 | = | 27.0 | nM | 7.57 | In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine... | 6298427 |
| Dopamine receptor | IC50 | = | 28.9 | nM | 7.54 | In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in ... | 6298427 |
| Dopamine receptor | IC50 | = | 800.0 | nM | 6.1 | In vitro binding affinity towards dopamine receptor was determined in rat striat... | 6834383 |
| Dopamine receptor | IC50 | = | 2500.0 | nM | 5.6 | In vitro binding affinity towards dopamine receptor was determined in bovine ant... | 6834383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6834383 | 10.1021/jm00358a012 | Rattus norvegicus | 5 |
| 6834383 | 10.1021/jm00358a012 | Dopamine receptor | 2 |
| 6834383 | 10.1021/jm00358a012 | Canis familiaris | 1 |
| 6298427 | 10.1021/jm00357a010 | Cerebral cortex alpha adrenergic receptor | 1 |
| 6298427 | 10.1021/jm00357a010 | Dopamine receptor | 1 |
| 6298427 | 10.1021/jm00357a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine