Compound Detail
CHEMBL313127
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Basic Information
| ChEMBL ID | CHEMBL313127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTEPQLOOQDLKHF-BQBZGAKWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.73
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 8.64 | 8.62 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2.3 | nM | 8.64 | Inhibition of [3H]N-alpha-methylhistamine binding to guinea pig brain Histamine ... | 9871662 |
| Histamine H3 receptor | Ki | = | 2.512 | nM | 8.6 | Activity at histamine H3 receptor in guinea pig ileum | 18433114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871662 | 10.1016/s0960-894x(98)00020-1 | Histamine H3 receptor | 3 |
| 9871662 | 10.1016/s0960-894x(98)00020-1 | Histamine H1 receptor | 3 |
| 18433114 | 10.1021/jm7014149 | Histamine H3 receptor | 2 |
| 9871662 | 10.1016/s0960-894x(98)00020-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine