Compound Detail
CHEMBL396062
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Basic Information
| ChEMBL ID | CHEMBL396062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCNIAOHOGYUOIN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
3.70
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.37
Ki 1 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.37 | 7.37 | 42.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.7413 | nM | 9.13 | Binding affinity to 5HT1A receptor in rat cortex membrane | 17803293 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 42.66 | nM | 7.37 | Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimu... | 17803293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17803293 | 10.1021/jm070714l | 5-hydroxytryptamine receptor 1A | 3 |
| 17803293 | 10.1021/jm070714l | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine