Compound Detail
CHEMBL59878
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Basic Information
| ChEMBL ID | CHEMBL59878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBQHGNXQTOFSDN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.24
ALogP
5
HBA
0
HBD
39.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.5 | nM | 8.6 | Compound was evaluated for its binding affinity with 5-hydroxytryptamine 1A rece... | 9622541 |
| Adrenergic receptor alpha-1 | Ki | = | 2.7 | nM | 8.57 | Compound was evaluated for its binding affinity with Alpha-1 adrenergic receptor... | 9622541 |
| D(2) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Compound was evaluated for its binding affinity with Dopamine receptor D2 using ... | 9622541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622541 | 10.1021/jm970164z | Rattus norvegicus | 2 |
| 9622541 | 10.1021/jm970164z | D(2) dopamine receptor | 1 |
| 9622541 | 10.1021/jm970164z | 5-hydroxytryptamine receptor 1A | 1 |
| 9622541 | 10.1021/jm970164z | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine