Compound Detail
CHEMBL90893
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Basic Information
| ChEMBL ID | CHEMBL90893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZJXUYYNFBBLSG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
5.33
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 5.012 | nM | 8.3 | Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) ex... | 31274307 |
| Cavia porcellus | IC50 | = | 93.0 | nM | 7.03 | Tested for concentration required to inhibit H1 histamine -induced guinea pig il... | 7914928 |
| Oryctolagus cuniculus | IC50 | = | 4000.0 | nM | 5.4 | Concentration required to inhibit PAF-induced maximum aggregation | 7914928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7914928 | 10.1021/jm00043a009 | Rattus norvegicus | 2 |
| 7914928 | 10.1021/jm00043a009 | Mus musculus | 2 |
| 31274307 | 10.1021/acs.jmedchem.9b00447 | Histamine H1 receptor | 2 |
| 7914928 | 10.1021/jm00043a009 | Oryctolagus cuniculus | 1 |
| 7914928 | 10.1021/jm00043a009 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine