Compound Detail
CHEMBL592379
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Basic Information
| ChEMBL ID | CHEMBL592379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZJWHALWWHWBKF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.0
MW (Da)
2.89
ALogP
7
HBA
2
HBD
90.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.81
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | Ki | 8.81 | 8.81 | 1.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.4 | 8.355 | 4.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 7.48 | 7.48 | 33.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1.549 | nM | 8.81 | Binding affinity to rat histamine H4 receptor | 20192225 |
| Histamine H4 receptor | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | Ki | = | 4.898 | nM | 8.31 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 20192225 |
| Histamine H4 receptor | IC50 | = | 33.11 | nM | 7.48 | Inverse agonist activity at human histamine H4 receptor expressed in HEK293T cel... | 20192225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20192225 | 10.1021/jm901379s | Histamine H4 receptor | 3 |
| 20192225 | 10.1021/jm901379s | Rattus norvegicus | 2 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine