Compound Detail
CHEMBL381717
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Basic Information
| ChEMBL ID | CHEMBL381717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUUUOVGZDVVVGL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.00
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Kd 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Kd | 8.03 | 8.03 | 9.3 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Histamine H3 receptor CHEMBL5076 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.0 | nM | 8.52 | Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed... | 16300945 |
| Histamine H3 receptor | Kd | = | 9.333 | nM | 8.03 | Activity against human histamine H3 receptor by histamine induced inhibition of ... | 16300945 |
| Histamine H3 receptor | Kd | = | 31.62 | nM | 7.5 | Antagonistic activity against histamine H3 receptor in guinea pig ileum | 16297617 |
| Histamine H3 receptor | Ki | = | 33.0 | nM | 7.48 | Displacement of [3H]N-alpha-methylhistamine from guinea pig histamine H3 recepto... | 16297617 |
| Histamine H3 receptor | Ki | = | 45.0 | nM | 7.35 | Displacement of N-[3H]methylhistamine from rat histamine H3 receptor in rat cort... | 16300945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16300945 | 10.1016/j.bmcl.2005.11.003 | Histamine H3 receptor | 3 |
| 16297617 | 10.1016/j.bmcl.2005.10.087 | Histamine H3 receptor | 2 |
| 16297617 | 10.1016/j.bmcl.2005.10.087 | Cytochrome P450 2D6 | 1 |
| 16297617 | 10.1016/j.bmcl.2005.10.087 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine