Compound Detail
CHEMBL1672306
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Basic Information
| ChEMBL ID | CHEMBL1672306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPFXYWKICZQNES-MRXNPFEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.59
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.6 | 7.11 | 2.5 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.5 | nM | 8.6 | Displacement of [3H]domperidone from dopamine D2 receptor high binding site in S... | 21666830 |
| D(3) dopamine receptor | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]domperidone from human cloned dopamine D3 receptor high bind... | 21666830 |
| D(2) dopamine receptor | Ki | = | 2400.0 | nM | 5.62 | 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(3) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(1A) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine