Compound Detail
CHEMBL63063
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Basic Information
| ChEMBL ID | CHEMBL63063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILLDXVCWSLGVJR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
3.81
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 91.0 | nM | 7.04 | Binding affinity against Dopamine receptor D1 of rat striatal receptor using [3H... | 10821720 |
| D(2) dopamine receptor | Ki | = | 730.0 | nM | 6.14 | Binding affinity against Dopamine receptor D2 of rat striatal mambranes using [3... | 10821720 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 960.0 | nM | 6.02 | Binding affinity against 5-hydroxytryptamine 2 receptor in rat striatum using [3... | 10821720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821720 | 10.1021/jm9911478 | Unchecked | 4 |
| 10821720 | 10.1021/jm9911478 | D(1A) dopamine receptor | 2 |
| 10821720 | 10.1021/jm9911478 | D(2) dopamine receptor | 2 |
| 10821720 | 10.1021/jm9911478 | Serotonin 2 (5-HT2) receptor | 2 |
| 10821720 | 10.1021/jm9911478 | Adrenergic receptor alpha-1 | 1 |
| 10821720 | 10.1021/jm9911478 | Muscarinic acetylcholine receptor M1 | 1 |
| 10821720 | 10.1021/jm9911478 | Glutamate [NMDA] receptor | 1 |
| 10821720 | 10.1021/jm9911478 | Glutamate receptor ionotropic AMPA | 1 |
| 10821720 | 10.1021/jm9911478 | 5-hydroxytryptamine receptor 1A | 1 |
| 10821720 | 10.1021/jm9911478 | Sodium-dependent serotonin transporter | 1 |
| 10821720 | 10.1021/jm9911478 | GABA-A receptor; anion channel | 1 |
| 10821720 | 10.1021/jm9911478 | Neuronal acetylcholine receptor | 1 |
| 10821720 | 10.1021/jm9911478 | Sulfonylurea receptors; K-ATP channels | 1 |
| 10821720 | 10.1021/jm9911478 | Adenosine receptor A1 | 1 |
| 10821720 | 10.1021/jm9911478 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine