Compound Detail
CHEMBL44450
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Basic Information
| ChEMBL ID | CHEMBL44450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXUFGPBRVNJCJM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.86
ALogP
4
HBA
1
HBD
41.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 6.86 | 6.86 | 138.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 138.0 | nM | 6.86 | Compound was tested for inhibitory binding activity against Dopamine receptor in... | 1671416 |
| Dopamine receptor | IC50 | = | 138.0 | nM | 6.86 | In vitro inhibition of [3H]haloperidol (HPD) binding to dopamine (DA) receptor o... | 2899647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2899647 | 10.1021/jm00403a022 | Rattus norvegicus | 6 |
| 2899647 | 10.1021/jm00403a022 | Monkey | 2 |
| 2899647 | 10.1021/jm00403a022 | Unchecked | 2 |
| 1671416 | 10.1021/jm00105a039 | Dopamine receptor | 1 |
| 1671416 | 10.1021/jm00105a039 | Mus musculus | 1 |
| 1671416 | 10.1021/jm00105a039 | Rattus norvegicus | 1 |
| 2899647 | 10.1021/jm00403a022 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine