Compound Detail
CHEMBL34239
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Basic Information
| ChEMBL ID | CHEMBL34239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIKAECUQHAATGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.68
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.61 | 7.61 | 24.5 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.57 | 5.57 | 2682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 24.5 | nM | 7.61 | In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells b... | 9873377 |
| D(3) dopamine receptor | Ki | = | 2682.0 | nM | 5.57 | Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO c... | 9873377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(3) dopamine receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine