Compound Detail
CHEMBL70609
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Basic Information
| ChEMBL ID | CHEMBL70609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCMSWCPOSSFEQM-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.41
ALogP
7
HBA
1
HBD
74.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of binding of 1.0 nM [3H]pirenzepine to cloned human Muscarinic acety... | 10377229 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 4900.0 | nM | 5.31 | Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex... | 10377229 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 7400.0 | nM | 5.13 | Binding affinity towards 5-HT2C receptor from rat using [3H]mesulergine as radio... | 10377229 |
| Adrenergic receptor alpha-1 | IC50 | = | 8700.0 | nM | 5.06 | Binding affinity towards alpha-1 adrenergic receptor from rat brain membranes us... | 10377229 |
| D(1A) dopamine receptor | IC50 | = | 22000.0 | nM | 4.66 | Binding affinity towards D1 CNS receptor of rat corpus striatum using [3H]SCH-23... | 10377229 |
| D(2) dopamine receptor | IC50 | = | 33000.0 | nM | 4.48 | Binding affinity towards Dopamine receptor D2 of rat corpus striatum using [3H]s... | 10377229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377229 | 10.1021/jm991005d | D(2) dopamine receptor | 2 |
| 10377229 | 10.1021/jm991005d | No relevant target | 1 |
| 10377229 | 10.1021/jm991005d | D(1A) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | D(3) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | D(4) dopamine receptor | 1 |
| 10377229 | 10.1021/jm991005d | 5-hydroxytryptamine receptor 2A | 1 |
| 10377229 | 10.1021/jm991005d | 5-hydroxytryptamine receptor 2C | 1 |
| 10377229 | 10.1021/jm991005d | Histamine H1 receptor | 1 |
| 10377229 | 10.1021/jm991005d | Adrenergic receptor alpha-1 | 1 |
| 10377229 | 10.1021/jm991005d | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine