Compound Detail
CHEMBL168114
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Basic Information
| ChEMBL ID | CHEMBL168114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTJZAXFDNXGQDU-SNVBAGLBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.81
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Ki 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 75.0 | nM | 7.12 | Concentration of compound required to inhibit cortical 5-hydroxytryptamine 1A re... | 2522991 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 75.0 | nM | 7.12 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat cortex... | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2522991 | 10.1021/jm00124a009 | Tryptophan 5-hydroxylase 1 | 11 |
| 2522991 | 10.1021/jm00124a009 | Rattus norvegicus | 4 |
| 2522991 | 10.1021/jm00124a009 | 5-hydroxytryptamine receptor 1A | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine