Compound Detail
CHEMBL25688
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Basic Information
| ChEMBL ID | CHEMBL25688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZAZQKHMIYBBFL-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.09
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.14 | 8.14 | 7.2 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.38 | 7.38 | 41.7 | 2 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.17 | 4.17 | 67608.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 7.244 | nM | 8.14 | Binding affinity at human cloned Histamine 3 receptor | 12372505 |
| Histamine H3 receptor | Ki | = | 7.244 | nM | 8.14 | Binding affinity for human recombinant H3 receptor | 12657274 |
| Histamine H3 receptor | Ki | = | 41.69 | nM | 7.38 | Binding affinity at rat cortical Histamine 3 receptor | 12372505 |
| Histamine H3 receptor | Ki | = | 41.69 | nM | 7.38 | Binding affinity towards rat cortical H3 receptor | 12657274 |
| Histamine H1 receptor | Ki | = | 5011.87 | nM | 5.3 | Binding affinity at human cortical Histamine 1 receptor | 12372505 |
| Histamine H2 receptor | Ki | = | 67608.3 | nM | 4.17 | Binding affinity at human cortical Histamine 2 receptor | 12372505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H3 receptor | 2 |
| 12657274 | 10.1016/s0960-894x(03)00118-5 | Histamine H3 receptor | 2 |
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H1 receptor | 1 |
| 12372505 | 10.1016/s0960-894x(02)00648-0 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine