Compound Detail
CHEMBL4591503
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Basic Information
| ChEMBL ID | CHEMBL4591503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARHFBDFEMSATAE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595043 |
| Active Moiety | CHEMBL4595043 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.7
MW (Da)
6.66
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 5.78 | 5.78 | 1659.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 1659.59 | nM | 5.78 | Antagonist activity at histamine H3 receptor in guinea pig jejunum assessed as e... | 30881612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30881612 | 10.1039/C8MD00527C | Histamine H1 receptor | 1 |
| 30881612 | 10.1039/C8MD00527C | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine