Compound Detail
CHEMBL333795
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Basic Information
| ChEMBL ID | CHEMBL333795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZLSEITWUMZHSJ-GDBMZVCRSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
2.88
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 8.66 | 7.91 | 2.2 | 2 |
| Cerebral cortex alpha adrenergic receptor CHEMBL2111420 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Dopamine receptor CHEMBL2096970 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 0.06 | nM | 10.22 | Inhibitory activity against prolactin release in rat anterior pituitary cells | 6834383 |
| Dopamine receptor | IC50 | = | 2.2 | nM | 8.66 | In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in ... | 6298427 |
| Cerebral cortex alpha adrenergic receptor | IC50 | = | 31.0 | nM | 7.51 | In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine... | 6298427 |
| Dopamine receptor | IC50 | = | 40.0 | nM | 7.4 | In vitro binding affinity towards dopamine receptor was determined in bovine ant... | 6834383 |
| Dopamine receptor | IC50 | = | 70.0 | nM | 7.16 | In vitro binding affinity towards dopamine receptor was determined in rat striat... | 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 |
| 6834383 | 10.1021/jm00358a012 | Mus musculus | 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