Compound Detail
CHEMBL102452
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Basic Information
| ChEMBL ID | CHEMBL102452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRJGKRWJSKONHR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.42
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.89 | 6.89 | 128.8 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.45 | 5.45 | 3548.1 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.47 | 4.47 | 33884.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 128.82 | nM | 6.89 | Binding affinity at rat cortical Histamine 3 receptor | 12372505 |
| Histamine H3 receptor | Ki | = | 199.53 | nM | 6.7 | Binding affinity at human cloned Histamine 3 receptor | 12372505 |
| Histamine H1 receptor | Ki | = | 3548.13 | nM | 5.45 | Binding affinity at human cortical Histamine 1 receptor | 12372505 |
| Histamine H2 receptor | Ki | = | 33884.42 | nM | 4.47 | 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 |
| 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