Compound Detail
CHEMBL4647890
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Basic Information
| ChEMBL ID | CHEMBL4647890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEQNVDYYIWHWNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.51
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Kd | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 48.0 | nM | 7.32 | Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 h... | 32462865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32462865 | 10.1021/acs.jmedchem.0c00483 | ADMET | 3 |
| 32462865 | 10.1021/acs.jmedchem.0c00483 | Histamine H1 receptor | 1 |
| 32462865 | 10.1021/acs.jmedchem.0c00483 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine