Compound Detail
CHEMBL1946782
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Basic Information
| ChEMBL ID | CHEMBL1946782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBIXRCIDRBFTIL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962754 |
| Active Moiety | CHEMBL1962754 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.63
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.467 | nM | 8.46 | Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in ... | 22145629 |
| Alpha-1D adrenergic receptor | Ki | = | 141.25 | nM | 6.85 | Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoceptor expres... | 22145629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22145629 | 10.1021/jm200421e | 5-hydroxytryptamine receptor 1A | 3 |
| 22145629 | 10.1021/jm200421e | Alpha-1A adrenergic receptor | 2 |
| 22145629 | 10.1021/jm200421e | Alpha-1B adrenergic receptor | 2 |
| 22145629 | 10.1021/jm200421e | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine