Compound Detail
CHEMBL289981
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Basic Information
| ChEMBL ID | CHEMBL289981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMTDAKAAYOXIKU-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
3.52
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.36 | 6.36 | 437.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.56 | 5.56 | 2781.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 437.0 | nM | 6.36 | In vitro binding affinity towards the 5-hydroxytryptamine 1A receptor was evalua... | 8496920 |
| Adrenergic receptor alpha-1 | IC50 | = | 2781.0 | nM | 5.56 | In vitro binding affinity towards the noradrenergic alpha-1 receptor at 10 e-6 M | 8496920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496920 | 10.1021/jm00062a028 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496920 | 10.1021/jm00062a028 | 5-hydroxytryptamine receptor 1B | 1 |
| 8496920 | 10.1021/jm00062a028 | 5-hydroxytryptamine receptor 2C | 1 |
| 8496920 | 10.1021/jm00062a028 | Serotonin 2 (5-HT2) receptor | 1 |
| 8496920 | 10.1021/jm00062a028 | D(1A) dopamine receptor | 1 |
| 8496920 | 10.1021/jm00062a028 | D(2) dopamine receptor | 1 |
| 8496920 | 10.1021/jm00062a028 | Adrenergic receptor alpha-1 | 1 |
| 8496920 | 10.1021/jm00062a028 | Adrenergic receptor alpha-2 | 1 |
| 8496920 | 10.1021/jm00062a028 | Adrenergic receptor beta | 1 |
Data from ChEMBL 36 via Core Engine