Compound Detail
CHEMBL81644
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Basic Information
| ChEMBL ID | CHEMBL81644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSOIYRCVNZBHGT-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.40
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
Ki 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.23 | 5.99 | 588.8 | 2 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.22 | 6.055 | 602.6 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.34 | 5.34 | 4570.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 4.98 | 4.98 | 10471.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 588.84 | nM | 6.23 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 15115383 |
| Histamine H3 receptor | EC50 | = | 602.56 | nM | 6.22 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
| Histamine H3 receptor | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at human histamine H3 receptor expressed in CHO cells assessed ... | 20690643 |
| Histamine H3 receptor | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor e... | 20690643 |
| Histamine H4 receptor | Ki | = | 4570.88 | nM | 5.34 | Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-N... | 15115383 |
| Histamine H4 receptor | EC50 | = | 10471.29 | nM | 4.98 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115383 | 10.1021/jm049932u | Histamine receptor (H3 and H4) | 3 |
| 20690643 | 10.1021/jm100643t | Histamine H3 receptor | 3 |
| 15115383 | 10.1021/jm049932u | Histamine H3 receptor | 2 |
| 15115383 | 10.1021/jm049932u | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine