Compound Detail
CHEMBL105268
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Basic Information
| ChEMBL ID | CHEMBL105268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWIRSRRDSYVSEG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.77
ALogP
5
HBA
0
HBD
65.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 6.42 | 6.42 | 380.2 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.62 | 4.62 | 23988.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 380.19 | nM | 6.42 | Binding affinity at human cortical Histamine 1 receptor | 12372505 |
| Histamine H3 receptor | Ki | = | 1122.02 | nM | 5.95 | Binding affinity at rat cortical Histamine 3 receptor | 12372505 |
| Histamine H2 receptor | Ki | = | 23988.33 | nM | 4.62 | 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 | 1 |
| 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