Compound Detail
CHEMBL1824235
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1824235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIGOTHGDDVVXRO-AFARHQOCSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.6
MW (Da)
5.06
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Ki 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.6 | 9.6 | 0.2 | 1 |
| Histamine H3 receptor CHEMBL3263 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.25 | nM | 9.6 | Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor ... | 21783360 |
| Histamine H3 receptor | Ki | = | 0.33 | nM | 9.48 | Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor... | 21783360 |
| Cytochrome P450 2C9 | IC50 | = | 15300.0 | nM | 4.82 | Inhibition of CYP2C9 | 21783360 |
| Cytochrome P450 3A4 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of CYP3A4 | 21783360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21783360 | 10.1016/j.bmcl.2011.06.102 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 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 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine