Compound Detail
CHEMBL3216394
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Basic Information
| ChEMBL ID | CHEMBL3216394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMNWXHSYPXQFSK-XCUBXKJBSA-N |
| Parent Compound | CHEMBL249420 |
| Active Moiety | CHEMBL249420 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.58
ALogP
4
HBA
2
HBD
50.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 43000.0 | nM | 4.37 | Inhibitory concentration against [3H]- spiperone binding to Dopamine receptor at... | 3820220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820220 | 10.1021/jm00386a009 | Rattus norvegicus | 4 |
| 3820220 | 10.1021/jm00386a009 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine