Compound Detail
CHEMBL4459469
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Basic Information
| ChEMBL ID | CHEMBL4459469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRXCKOLVJQUTEY-WLHGVMLRSA-N |
| Parent Compound | CHEMBL4596157 |
| Active Moiety | CHEMBL4596157 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-0.79
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 5.012 | nM | 8.3 | Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition ... | 31675226 |
| Histamine H3 receptor | Ki | = | 15.85 | nM | 7.8 | Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for... | 31675226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31675226 | 10.1021/acs.jmedchem.9b01462 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine