Compound Detail
CHEMBL44220
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Basic Information
| ChEMBL ID | CHEMBL44220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHXVXFKQYAHZKJ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
1.63
ALogP
2
HBA
3
HBD
53.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.0
Ki 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 8.0 | 8.0 | 10.0 | 2 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
| Histamine H1 receptor CHEMBL3943 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 10.0 | nM | 8.0 | In vitro inhibitory effect of histamine H3 antagonist on the electrically evoked... | 7783156 |
| Histamine H3 receptor | Kd | = | 10.0 | nM | 8.0 | Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homoge... | 11356102 |
| Histamine H1 receptor | Ki | = | 19952.62 | nM | 4.7 | Displacement of [3H]mepyramine bound to membranes of CHO cells expressing guinea... | 7783156 |
| Histamine H2 receptor | Ki | = | 19952.62 | nM | 4.7 | Displacement of [125 I]iodoaminopotentidine bound to membranes of CHO cells expr... | 7783156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783156 | 10.1021/jm00012a025 | Histamine H3 receptor | 1 |
| 7783156 | 10.1021/jm00012a025 | Histamine H1 receptor | 1 |
| 7783156 | 10.1021/jm00012a025 | Histamine H2 receptor | 1 |
| 11356102 | 10.1021/jm001109k | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine