Compound Detail
CHEMBL101032
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Basic Information
| ChEMBL ID | CHEMBL101032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEJWDLHOLWGRLH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
3.01
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.79 | 7.35 | 16.2 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.57 | 6.57 | 267.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 16.2 | nM | 7.79 | Agonistic activity towards dopamine D2 receptor using radioligand [3H]quinpirole... | 9871673 |
| D(2) dopamine receptor | Ki | = | 124.0 | nM | 6.91 | Antagonistic activity towards dopamine D2 receptor using radioligand [3H]spipero... | 9871673 |
| D(4) dopamine receptor | Ki | = | 267.0 | nM | 6.57 | Binding affinity towards human cloned Dopamine receptor D4.4 expressed in CHO ce... | 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 |
| 23847718 | 10.1021/ml300472n | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine