Compound Detail
CHEMBL1672302
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Basic Information
| ChEMBL ID | CHEMBL1672302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAURMGBDDSMOJD-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.87
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.16 | 7.115 | 6.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 6.9 | nM | 8.16 | Displacement of [3H]domperidone from dopamine D2 receptor high binding site in S... | 21666830 |
| D(2) dopamine receptor | Ki | = | 860.0 | nM | 6.07 | Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprag... | 21666830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21666830 | 10.1021/ml1001689 | D(2) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(1A) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine