Compound Detail
CHEMBL5094415
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Basic Information
| ChEMBL ID | CHEMBL5094415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMHMTMQAABMRBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.55
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3... | 34107215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A1 | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A2a | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A2b | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A3 | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine