Compound Detail
CHEMBL3287406
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Basic Information
| ChEMBL ID | CHEMBL3287406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXMVXDBYJCUQJD-UHFFFAOYSA-N |
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
4.49
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.72
EC50 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.17 | 8.11 | 6.7 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.8 | 7.8 | 16.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.39 | 7.39 | 40.7 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.01 | 7.01 | 97.7 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.75 | 5.75 | 1778.3 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24831693 | 10.1021/jm5004039 | D(2) dopamine receptor | 7 |
| 24831693 | 10.1021/jm5004039 | D(3) dopamine receptor | 4 |
| 24831693 | 10.1021/jm5004039 | Unchecked | 4 |
| 24831693 | 10.1021/jm5004039 | D(1A) dopamine receptor | 1 |
| 24831693 | 10.1021/jm5004039 | D(4) dopamine receptor | 1 |
| 24831693 | 10.1021/jm5004039 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine