Compound Detail
CHEMBL5430091
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 | CHEMBL5430091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGUWMYZSBBTPMS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
3.43
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.56 | 9.55 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.2754 | nM | 9.56 | Displacement of UR-NR266 from NLuc-tagged human histamine H3 receptor expressed ... | 37974943 |
| Histamine H3 receptor | Ki | = | 0.2818 | nM | 9.55 | Displacement of [3H]UR-MN259 from SP-FLAG tagged human histamine H3 receptor exp... | 37974943 |
| Histamine H3 receptor | Ki | = | 0.2884 | nM | 9.54 | Binding affinity to SP-FLAG tagged human histamine H3 receptor expressed in HEK2... | 37974943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974943 | 10.1021/acsmedchemlett.3c00413 | Histamine H3 receptor | 5 |
| 37974943 | 10.1021/acsmedchemlett.3c00413 | Unchecked | 3 |
| 37974943 | 10.1021/acsmedchemlett.3c00413 | Histamine H1 receptor | 1 |
| 37974943 | 10.1021/acsmedchemlett.3c00413 | Histamine H2 receptor | 1 |
| 37974943 | 10.1021/acsmedchemlett.3c00413 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine