Compound Detail
CHEMBL4641846
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Basic Information
| ChEMBL ID | CHEMBL4641846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYPWLANABTZHBT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL90019 |
| Active Moiety | CHEMBL90019 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
139.2
MW (Da)
0.69
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 4.266 | nM | 8.37 | Displacement of [3H]-N-alpha-methylhistamine from Galphai2/Gbeta1gamma2-coupled ... | 32420741 |
| Histamine H4 receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombin... | 32420741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H4 receptor | 1 |
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H3 receptor | 1 |
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine