Compound Detail
CHEMBL157217
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Basic Information
| ChEMBL ID | CHEMBL157217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWBZUWWQDRQBAX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.5
MW (Da)
4.17
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 398.11 | nM | 6.4 | Inhibitory activity against human Histamine H1 receptor | 14667234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667234 | 10.1021/jm030936t | Histamine H1 receptor | 3 |
Data from ChEMBL 36 via Core Engine