Compound Detail
CHEMBL5267849
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Basic Information
| ChEMBL ID | CHEMBL5267849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAIPJWQNISLRBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.16
ALogP
5
HBA
0
HBD
55.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.58 | 8.58 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.63 | nM | 8.58 | Inhibition of 5-HT2A (unknown origin) assessed as inhibition constant | 29656203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29656203 | 10.1016/j.ejmech.2018.03.076 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine