Compound Detail
CHEMBL555593
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CCOC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL555593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFIUJSFVBYSORD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195925 |
| Active Moiety | CHEMBL1195925 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
5.56
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | IC50 | 6.02 | 6.02 | 956.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 956.0 | nM | 6.02 | Inhibitory activity against Tritiated [3H]- mepyramine binding to histamine H1 r... | 2562852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2562852 | 10.1021/jm00121a022 | Rattus norvegicus | 3 |
| 2562852 | 10.1021/jm00121a022 | Cavia porcellus | 3 |
| 2562852 | 10.1021/jm00121a022 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine