Compound Detail
CHEMBL161177
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Basic Information
| ChEMBL ID | CHEMBL161177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVAIBTKWIOKLFN-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.1
MW (Da)
3.43
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 8.0 | nM | 8.1 | Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... | 3941414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3941414 | 10.1021/jm00151a010 | Rattus norvegicus | 2 |
| 3941414 | 10.1021/jm00151a010 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine