Compound Detail
CHEMBL1202331
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Basic Information
| ChEMBL ID | CHEMBL1202331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDXFSPYYVIFKIC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL550757 |
| Active Moiety | CHEMBL550757 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.23
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 19414267 |
| Histamine H4 receptor | Ki | = | 50.12 | nM | 7.3 | Displacement of [3H]histamine from human histamine H4 receptor expressed in huma... | 19414267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19414267 | 10.1016/j.bmc.2009.04.007 | Histamine H4 receptor | 2 |
| 19414267 | 10.1016/j.bmc.2009.04.007 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine