Compound Detail
CHEMBL39951
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Basic Information
| ChEMBL ID | CHEMBL39951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBUUCFXMYXIAKM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178765 |
| Active Moiety | CHEMBL1178765 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
5.62
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.51
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 7.51 | 7.51 | 30.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.8 | 6.8 | 157.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 30.9 | nM | 7.51 | Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum | 12672253 |
| Histamine H3 receptor | Ki | = | 157.0 | nM | 6.8 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing C... | 12672253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672253 | 10.1021/jm021084k | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine