Compound Detail
CHEMBL1243395
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Basic Information
| ChEMBL ID | CHEMBL1243395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGLGWLWXYRAXPK-OAHLLOKOSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.30
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.32
EC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 48.0 | nM | 7.32 | Binding affinity to human histamine H1 receptor | 20690643 |
| Histamine H3 receptor | EC50 | = | 74.0 | nM | 7.13 | Agonist activity at human histamine H3 receptor expressed in CHO cells assessed ... | 20690643 |
| Histamine H3 receptor | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor e... | 20690643 |
| Histamine H4 receptor | Ki | = | 310.0 | nM | 6.51 | Binding affinity to human histamine H4 receptor | 20690643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20690643 | 10.1021/jm100643t | Histamine H3 receptor | 3 |
| 20690643 | 10.1021/jm100643t | Unchecked | 2 |
| 20690643 | 10.1021/jm100643t | Histamine H1 receptor | 1 |
| 20690643 | 10.1021/jm100643t | Histamine H2 receptor | 1 |
| 20690643 | 10.1021/jm100643t | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine