Compound Detail
CHEMBL94200
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Basic Information
| ChEMBL ID | CHEMBL94200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEMKRNRSIHZCJI-LJQANCHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.0
MW (Da)
4.48
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 18.0 | nM | 7.75 | Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determ... | 8709107 |
| D(3) dopamine receptor | Ki | = | 150.0 | nM | 6.82 | Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determin... | 8709107 |
| D(2) dopamine receptor | Ki | = | 690.0 | nM | 6.16 | Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determin... | 8709107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709107 | 10.1021/jm9601720 | D(2) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | D(3) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | D(4) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine