Compound Detail
CHEMBL5558681
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Basic Information
| ChEMBL ID | CHEMBL5558681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSTPKAXJLQELNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
6.06
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 7.19 | 7.19 | 64.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 64.51 | nM | 7.19 | Antagonist activity at human H1 receptor expressed in PathHunter CHO-K1 HRH1 bet... | 38368709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38368709 | 10.1016/j.ejmech.2024.116197 | Histamine H1 receptor | 1 |
| 38368709 | 10.1016/j.ejmech.2024.116197 | Muscarinic acetylcholine receptor M3 | 1 |
| 38368709 | 10.1016/j.ejmech.2024.116197 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine