Compound Detail
CHEMBL541621
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Basic Information
| ChEMBL ID | CHEMBL541621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BATPBOZTBNNDLN-UQKRIMTDSA-N |
| Parent Compound | CHEMBL41436 |
| Active Moiety | CHEMBL41436 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
3.37
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.1 | 8.655 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.8 | nM | 9.1 | Binding affinity to 5HT1A receptor in Sprague-Dawley rat brain cortex homogenate... | 21440338 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.11 | nM | 8.21 | Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8... | 1995871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21440338 | 10.1016/j.ejmech.2011.03.001 | PC-3 | 13 |
| 1995871 | 10.1021/jm00106a004 | 5-hydroxytryptamine receptor 1A | 1 |
| 1995871 | 10.1021/jm00106a004 | Serotonin (5-HT) receptor | 1 |
| 21440338 | 10.1016/j.ejmech.2011.03.001 | Unchecked | 1 |
| 21440338 | 10.1016/j.ejmech.2011.03.001 | RAC-alpha serine/threonine-protein kinase | 1 |
| 21440338 | 10.1016/j.ejmech.2011.03.001 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine