Compound Detail
CHEMBL201861
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Basic Information
| ChEMBL ID | CHEMBL201861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHICIPDDOYLSSA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.3
MW (Da)
5.45
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Kd 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 8.14 | 8.14 | 7.2 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 7.244 | nM | 8.14 | Activity against human histamine H3 receptor by histamine induced inhibition of ... | 16300945 |
| Histamine H3 receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed... | 16300945 |
| Histamine H3 receptor | Ki | = | 57.0 | nM | 7.24 | 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 |
Data from ChEMBL 36 via Core Engine