Compound Detail
CHEMBL138964
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Basic Information
| ChEMBL ID | CHEMBL138964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXUBPNABLKWHGY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
5.08
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 29.0 | nM | 7.54 | Binding affinity for 5-hydroxytryptamine 2A receptor, activity is expressed as I... | 7473566 |
| D(1A) dopamine receptor | IC50 | = | 45.0 | nM | 7.35 | Binding affinity for dopamine receptor D1, activity is expressed as IC50 values. | 7473566 |
| D(2) dopamine receptor | IC50 | = | 55.0 | nM | 7.26 | Binding affinity against dopamine receptor D2 | 7473566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473566 | 10.1021/jm00022a004 | Rattus norvegicus | 3 |
| 7473566 | 10.1021/jm00022a004 | D(1A) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | D(2) dopamine receptor | 1 |
| 7473566 | 10.1021/jm00022a004 | 5-hydroxytryptamine receptor 2A | 1 |
| 7473566 | 10.1021/jm00022a004 | Adrenergic receptor alpha-1 | 1 |
| 7473566 | 10.1021/jm00022a004 | Mus musculus | 1 |
| 7473566 | 10.1021/jm00022a004 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine