Compound Detail
CHEMBL4204031
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Basic Information
| ChEMBL ID | CHEMBL4204031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNUGKQSHNAGXAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
2.68
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.69 | 6.69 | 205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 205.0 | nM | 6.69 | Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 ... | 29477889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29477889 | 10.1016/j.ejmech.2018.02.015 | Histamine H3 receptor | 1 |
| 29477889 | 10.1016/j.ejmech.2018.02.015 | Amine oxidase [flavin-containing] B | 1 |
| 29477889 | 10.1016/j.ejmech.2018.02.015 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine