Compound Detail
CHEMBL101285
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Basic Information
| ChEMBL ID | CHEMBL101285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNAZBTWTBGIYND-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.56
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.02 | 7.37 | 9.6 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.55 | 6.55 | 281.5 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.53 | 6.53 | 297.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.34 | 6.34 | 456.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 9.6 | nM | 8.02 | Agonistic activity towards dopamine D2 receptor using radioligand [3H]quinpirole... | 9871673 |
| D(2) dopamine receptor | Ki | = | 191.0 | nM | 6.72 | Antagonistic activity towards dopamine D2 receptor using radioligand [3H]spipero... | 9871673 |
| D(3) dopamine receptor | Ki | = | 281.5 | nM | 6.55 | Binding affinity towards human cloned dopamine (hD3) receptor expressed in CHO c... | 9871673 |
| D(4) dopamine receptor | Ki | = | 297.0 | nM | 6.53 | Binding affinity towards human cloned dopamine (hD4.4) receptor expressed in CHO... | 9871673 |
| D(2) dopamine receptor | Ki | = | 456.0 | nM | 6.34 | Binding affinity towards human cloned dopamine (hD2s) receptors expressed in CHO... | 9871673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871673 | 10.1016/s0960-894x(98)00014-6 | D(2) dopamine receptor | 4 |
| 9871673 | 10.1016/s0960-894x(98)00014-6 | D(3) dopamine receptor | 1 |
| 9871673 | 10.1016/s0960-894x(98)00014-6 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine