Compound Detail
CHEMBL130398
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Basic Information
| ChEMBL ID | CHEMBL130398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQHRVMZXOMRVOE-ISLYRVAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.14
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 5.64 | 5.64 | 2295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2295.0 | nM | 5.64 | In vitro binding affinity towards Dopamine receptor D2 | 12954065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954065 | 10.1021/jm0307786 | D(2) dopamine receptor | 3 |
| 12954065 | 10.1021/jm0307786 | D(1A) dopamine receptor | 2 |
| 12954065 | 10.1021/jm0307786 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine