Compound Detail
CHEMBL433744
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Basic Information
| ChEMBL ID | CHEMBL433744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VICVODAUYHWJHA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.9
MW (Da)
3.53
ALogP
5
HBA
0
HBD
31.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.35 | 7.35 | 44.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.58 | 6.58 | 263.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.17 | 6.17 | 676.1 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.75 | 5.75 | 1778.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 44.67 | nM | 7.35 | Binding affinity against serotonin 5-hydroxytryptamine 2 receptor | 7907148 |
| D(2) dopamine receptor | Ki | = | 263.03 | nM | 6.58 | Binding affinity against dopamine D2 receptor | 7907148 |
| D(1A) dopamine receptor | Ki | = | 676.08 | nM | 6.17 | Binding affinity against dopamine receptor D1 | 7907148 |
| Muscarinic acetylcholine receptor | Ki | = | 1778.28 | nM | 5.75 | Binding affinity against muscarinic (M) receptor | 7907148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7907148 | 10.1021/jm00030a011 | D(2) dopamine receptor | 1 |
| 7907148 | 10.1021/jm00030a011 | D(1A) dopamine receptor | 1 |
| 7907148 | 10.1021/jm00030a011 | Serotonin 2 (5-HT2) receptor | 1 |
| 7907148 | 10.1021/jm00030a011 | Muscarinic acetylcholine receptor | 1 |
| 7907148 | 10.1021/jm00030a011 | Rattus norvegicus | 1 |
| 7907148 | 10.1021/jm00030a011 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 1 |
| 7907148 | 10.1021/jm00030a011 | Unchecked | 1 |
| 7907148 | 10.1021/jm00030a011 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine