Compound Detail
CHEMBL212291
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Basic Information
| ChEMBL ID | CHEMBL212291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSMJOXYQXGOXQV-FXBPSFAMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.04
ALogP
6
HBA
0
HBD
53.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.89
EC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.48 | 7.48 | 33.3 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 33.3 | nM | 7.48 | Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR a... | 16913699 |
| D(4) dopamine receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in H... | 16913699 |
| D(2) dopamine receptor | Ki | = | 1820.0 | nM | 5.74 | Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK29... | 16913699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913699 | 10.1021/jm060279f | D(2) dopamine receptor | 3 |
| 16913699 | 10.1021/jm060279f | D(4) dopamine receptor | 3 |
| 16913699 | 10.1021/jm060279f | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine