Compound Detail
CHEMBL11158
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Basic Information
| ChEMBL ID | CHEMBL11158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUBNGRNNBFIIHG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.0
MW (Da)
5.00
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Ki 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL4701 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 210.0 | nM | 6.68 | Ability to displace [3H]-pyrilamine from H1 receptor in rat brain membrane. | - |
| Homo sapiens | IC50 | = | 600.0 | nM | 6.22 | Concentration for inhibition of PAF-induced platelet aggregation in human platel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80290-5 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(00)80290-5 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine