Compound Detail
CHEMBL116144
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Basic Information
| ChEMBL ID | CHEMBL116144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNKJMMRGHGXRAK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
3.87
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL4701 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 3600.0 | nM | 5.44 | Binding affinity against Histamine H1 receptor using receptor binding assay in r... | 9934454 |
| Homo sapiens | IC50 | = | 15000.0 | nM | 4.82 | In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel... | 9934454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9934454 | 10.1016/s0960-894x(98)00626-x | Homo sapiens | 1 |
| 9934454 | 10.1016/s0960-894x(98)00626-x | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine