Compound Detail
CHEMBL507360
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Basic Information
| ChEMBL ID | CHEMBL507360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJPDUNSHNPHJFS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
5
PK Parameters
11
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.40
ALogP
7
HBA
0
HBD
69.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.51
Ki 1 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 10.03 | 10.03 | 0.1 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 9.51 | 9.51 | 0.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 883.07 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.029 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 570.0 | nM | Rattus norvegicus |
| F | 48.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.09375 | nM | 10.03 | Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor ... | 21802950 |
| Histamine H3 receptor | IC50 | = | 0.31 | nM | 9.51 | Inverse agonist activity at human histamine H3 receptor assessed as inhibition o... | 18952421 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding... | 21802950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Rattus norvegicus | 8 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Histamine H3 receptor | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Alpha-1A adrenergic receptor | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Histamine H1 receptor | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Histamine H2 receptor | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Histamine H4 receptor | 1 |
| 18952421 | 10.1016/j.bmcl.2008.10.034 | Brain | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | Histamine H3 receptor | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine