Compound Detail
CHEMBL1824236
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Basic Information
| ChEMBL ID | CHEMBL1824236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQDIOQCBDIFEQD-HCGLCNNCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
5.45
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Histamine H3 receptor CHEMBL3263 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.64 | nM | 9.19 | Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor ... | 21783360 |
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor... | 21783360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Histamine H3 receptor | 2 |
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Cytochrome P450 2C9 | 1 |
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Cytochrome P450 2D6 | 1 |
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Cytochrome P450 3A4 | 1 |
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine