Compound Detail
CHEMBL4555457
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Basic Information
| ChEMBL ID | CHEMBL4555457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVWUHQITLJEFAX-WLHGVMLRSA-N |
| Parent Compound | CHEMBL4596532 |
| Active Moiety | CHEMBL4596532 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
0.59
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.1
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.1 | 8.1 | 7.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 7.943 | nM | 8.1 | Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition ... | 31675226 |
| Histamine H3 receptor | Ki | = | 63.1 | nM | 7.2 | 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