Compound Detail
CHEMBL2419770
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Basic Information
| ChEMBL ID | CHEMBL2419770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLAXELILYCMGLF-XFULWGLBSA-N |
| Parent Compound | CHEMBL3039705 |
| Active Moiety | CHEMBL3039705 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.74 | 7.74 | 18.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 9.12 | nM | 8.04 | Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO... | 23902232 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10.96 | nM | 7.96 | Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes ... | 23902232 |
| Alpha-1D adrenergic receptor | Ki | = | 18.2 | nM | 7.74 | Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO... | 23902232 |
| Alpha-1B adrenergic receptor | Ki | = | 125.89 | nM | 6.9 | Displacement of [3H]prazosin from human alpha-1B adrenoreceptor expressed in CHO... | 23902232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23902232 | 10.1021/jm400867d | Unchecked | 3 |
| 23902232 | 10.1021/jm400867d | 5-hydroxytryptamine receptor 1A | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1D adrenergic receptor | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1B adrenergic receptor | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine