Compound Detail
CHEMBL59855
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Basic Information
| ChEMBL ID | CHEMBL59855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRUUDFUCYLDNKU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
4.42
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.09 | 8.09 | 8.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.71 | nM | 9.15 | Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A r... | 9622541 |
| Adrenergic receptor alpha-1 | Ki | = | 8.2 | nM | 8.09 | Binding affinity against Alpha-1 adrenergic receptor from rat cerebral cortex | 9622541 |
| D(2) dopamine receptor | Ki | = | 57.0 | nM | 7.24 | Binding affinity against Dopamine receptor D2 from rat striatum | 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