Compound Detail
CHEMBL439676
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Basic Information
| ChEMBL ID | CHEMBL439676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLLVHZRVEQHGSN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.17
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.47
Ki 1 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 9.47 | 9.47 | 0.3 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.83 | 8.83 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 0.3388 | nM | 9.47 | Mean functional activity against human H3 receptor | 15771465 |
| Histamine H3 receptor | Ki | = | 1.479 | nM | 8.83 | Mean binding affinity for human H3 receptor | 15771465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771465 | 10.1021/jm049212n | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine