Compound Detail
CHEMBL4115693
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Basic Information
| ChEMBL ID | CHEMBL4115693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAZMLKZBBLUNEQ-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | IC50 | = | 1100.0 | nM | 5.96 | Histamine H-4 Receptor Binding Assay: Histamine H-4 Receptor Binding Assay | - |
| Histamine H1 receptor | IC50 | = | 23000.0 | nM | 4.64 | Histamine H1 Receptors Binding Assay: Affinities of the test compounds for perip... | - |
Data from ChEMBL 36 via Core Engine