Compound Detail
CHEMBL1923031
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Basic Information
| ChEMBL ID | CHEMBL1923031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMDSVQCIUEXOD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1963448 |
| Active Moiety | CHEMBL1963448 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.5
MW (Da)
3.76
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.53 | 7.53 | 29.5 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.17 | 7.17 | 67.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 29.51 | nM | 7.53 | Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells a... | 22003888 |
| Histamine H3 receptor | Ki | = | 67.61 | nM | 7.17 | Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells a... | 22003888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22003888 | 10.1021/jm201042n | Histamine H3 receptor | 1 |
| 22003888 | 10.1021/jm201042n | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine