Compound Detail
CHEMBL422314
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Basic Information
| ChEMBL ID | CHEMBL422314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBPSAINLCKSSJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.9
MW (Da)
4.19
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.37 | 8.37 | 4.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 31.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.3 | nM | 8.37 | Binding affinity towards human dopamine receptor D4 | 11170639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170639 | 10.1021/jm0002432 | D(4) dopamine receptor | 1 |
| 11170639 | 10.1021/jm0002432 | ADMET | 1 |
| 11170639 | 10.1021/jm0002432 | Rattus norvegicus | 1 |
| 11170639 | 10.1021/jm0002432 | Voltage-gated L-type calcium channel | 1 |
| 11170639 | 10.1021/jm0002432 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine