Compound Detail
CHEMBL61904
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Basic Information
| ChEMBL ID | CHEMBL61904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJSOIXCGCRDOFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
2.41
ALogP
5
HBA
1
HBD
76.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.7 | 6.7 | 198.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.79 | 4.79 | 16140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 198.0 | nM | 6.7 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebra... | 11170629 |
| Adrenergic receptor alpha-1 | Ki | = | 16140.0 | nM | 4.79 | In vitro binding affinity towards alpha-1 adrenergic receptor in rat cerebral co... | 11170629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611840 | 10.1016/s0960-894x(03)00598-5 | 5-hydroxytryptamine receptor 1A | 2 |
| 14611840 | 10.1016/s0960-894x(03)00598-5 | Adrenergic receptor alpha-1 | 2 |
| 11170629 | 10.1021/jm000930t | 5-hydroxytryptamine receptor 1A | 1 |
| 11170629 | 10.1021/jm000930t | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine