Compound Detail
CHEMBL364530
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Basic Information
| ChEMBL ID | CHEMBL364530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDJKZQGULMYBGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
2.57
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.67 | 8.67 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.4 | 5.4 | 4010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.14 | nM | 8.67 | Inhibition of [3H]8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain ... | 16107148 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4010.0 | nM | 5.4 | Inhibition of 0.4 nM [3H]ketanserin binding to Serotonin 5-HT2A receptor from ra... | 16107148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 1A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2C | 1 |
| 16107148 | 10.1021/jm050246k | D(1A) dopamine receptor | 1 |
| 16107148 | 10.1021/jm050246k | D(2) dopamine receptor | 1 |
| 16107148 | 10.1021/jm050246k | Adrenergic receptor alpha-1 | 1 |
| 16107148 | 10.1021/jm050246k | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine