Compound Detail
CHEMBL492677
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL492677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXRZHULPUGZJMQ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
1.42
ALogP
6
HBA
2
HBD
70.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.9
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.9 | 7.49 | 12.6 | 4 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.7 | 7.355 | 20.0 | 2 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 6.31 | 6.31 | 489.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 12.59 | nM | 7.9 | Agonist activity at histamine H4 receptor (unknown origin) expressed in HEK293T ... | 29939744 |
| Histamine H4 receptor | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]histamine from human histamine H4 receptor | 21458260 |
| Histamine H4 receptor | EC50 | = | 21.38 | nM | 7.67 | Agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expres... | 19773175 |
| Histamine H4 receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2... | 29939744 |
| Histamine H4 receptor | EC50 | = | 64.57 | nM | 7.19 | Agonist activity at human histamine H4 receptor expressed in HEK293 cells coexpr... | 18811133 |
| Histamine H4 receptor | Ki | = | 98.0 | nM | 7.01 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H4 receptor | EC50 | = | 489.78 | nM | 6.31 | Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... | 18811133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811133 | 10.1021/jm8005959 | Histamine H4 receptor | 4 |
| 29939744 | 10.1021/acs.jmedchem.8b00435 | Histamine H4 receptor | 4 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H4 receptor | 3 |
| 21458260 | 10.1016/j.bmcl.2011.03.017 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine