Compound Detail
CHEMBL2376804
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 | CHEMBL2376804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KICLSPYVVBSUFF-UHFFFAOYSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
0.89
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.28
IC50 1 meas. best 7.15
Kd 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.87 | 7.87 | 13.5 | 1 |
| Histamine H4 receptor CHEMBL5657 | Ki | 7.82 | 7.82 | 15.1 | 1 |
| Histamine H4 receptor CHEMBL4468 | Ki | 7.53 | 7.53 | 29.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 7.15 | 7.15 | 70.8 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 4.68 | 4.68 | 20893.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 5.248 | nM | 8.28 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 23558237 |
| Histamine H4 receptor | Kd | = | 13.49 | nM | 7.87 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 23558237 |
| Histamine H4 receptor | Ki | = | 15.14 | nM | 7.82 | Binding affinity to mouse histamine H4 receptor | 23558237 |
| Histamine H4 receptor | Ki | = | 29.51 | nM | 7.53 | Binding affinity to rat histamine H4 receptor | 23558237 |
| Histamine H4 receptor | IC50 | = | 70.79 | nM | 7.15 | Antagonist activity at human histamine H4 receptor expressed in HEK cells assess... | 23558237 |
| Histamine H3 receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [3H]histamine from human histamine H3 receptor expressed in HEK ... | 23558237 |
| Histamine H1 receptor | Ki | = | 20892.96 | nM | 4.68 | Displacement of [3H]histamine from human histamine H1 receptor expressed in HEK ... | 23558237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H4 receptor | 6 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Unchecked | 3 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H2 receptor | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H1 receptor | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine