Compound Detail
CHEMBL39716
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Basic Information
| ChEMBL ID | CHEMBL39716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZEPGCUMVPBMBP-OQKWZONESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.45
ALogP
4
HBA
1
HBD
45.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.07
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.07 | 7.07 | 85.1 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 5.1 | 5.1 | 7943.3 | 1 |
| Histamine H2 receptor CHEMBL2882 | Kd | 4.85 | 4.85 | 14125.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 55.0 | nM | 7.26 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing C... | 12672253 |
| Histamine H3 receptor | Kd | = | 85.11 | nM | 7.07 | Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum | 12672253 |
| Histamine H1 receptor | Kd | = | 7943.28 | nM | 5.1 | Potency at histamine H1 receptor subtype, was tested on guinea pig right ileum | 12672253 |
| Histamine H2 receptor | Kd | = | 14125.38 | nM | 4.85 | Potency at histamine H2 receptor subtype, was tested on guinea pig right atrium | 12672253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672253 | 10.1021/jm021084k | Histamine H3 receptor | 3 |
| 12672253 | 10.1021/jm021084k | Histamine H2 receptor | 1 |
| 12672253 | 10.1021/jm021084k | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine