Compound Detail
CHEMBL53056
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Basic Information
| ChEMBL ID | CHEMBL53056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXTVOCBOZDKVHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.07
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 5.73 | 5.635 | 1862.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 0.018 | uM | - |
| Ka | 34.0 | uM | - |
| Ka | 5.4 | uM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1862.09 | nM | 5.73 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
| Histamine H3 receptor | Ki | = | 2884.03 | nM | 5.54 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406649 | 10.1016/s0960-894x(99)00272-3 | Histamine H3 receptor | 3 |
| 10450978 | 10.1016/s0960-894x(99)00310-8 | Carbonic anhydrase 1 | 1 |
| 10450978 | 10.1016/s0960-894x(99)00310-8 | Carbonic anhydrase 2 | 1 |
| 10450978 | 10.1016/s0960-894x(99)00310-8 | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine