Compound Detail
CHEMBL203263
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Basic Information
| ChEMBL ID | CHEMBL203263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJZMQYYHQDWJRH-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.8
MW (Da)
3.57
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
IC50 1 meas. best 8.9
Kd 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 8.9 | 8.9 | 1.3 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | IC50 | = | 1.259 | nM | 8.9 | Activity against human H3 receptor as measured by CRE-mediated beta galactosidas... | 16610798 |
| Histamine H3 receptor | Kd | = | 1.259 | nM | 8.9 | Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homoge... | 11356102 |
| Histamine H3 receptor | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in ... | 16610798 |
| Histamine H4 receptor | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]histamine from human H4 receptor expressed in SK-N-MC cells | 16610798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610798 | 10.1021/jm0504353 | Histamine H3 receptor | 3 |
| 11356102 | 10.1021/jm001109k | Histamine H3 receptor | 1 |
| 16610798 | 10.1021/jm0504353 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine