Compound Detail
CHEMBL2206271
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Basic Information
| ChEMBL ID | CHEMBL2206271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVGHVCRBPYKJEP-SVBPBHIXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.7
MW (Da)
6.11
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in ... | 23275802 |
| D(2) dopamine receptor | Ki | = | 75.0 | nM | 7.12 | Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in... | 23275802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23275802 | 10.1021/ml3002117 | Unchecked | 1 |
| 23275802 | 10.1021/ml3002117 | D(3) dopamine receptor | 1 |
| 23275802 | 10.1021/ml3002117 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine