Compound Detail
CHEMBL205583
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Basic Information
| ChEMBL ID | CHEMBL205583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPMSLQGYNLIUOH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
2.22
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in ... | 16610798 |
| Histamine H3 receptor | EC50 | = | 31.62 | nM | 7.5 | Activity against human H3 receptor as measured by CRE-mediated beta galactosidas... | 16610798 |
| Histamine H4 receptor | Ki | = | 398.11 | nM | 6.4 | 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 |
| 16610798 | 10.1021/jm0504353 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine