Compound Detail
CHEMBL82244
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Basic Information
| ChEMBL ID | CHEMBL82244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUCZZMVMIXBWEJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.45
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.85 | 6.85 | 141.2 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.45 | 6.45 | 354.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.29 | 5.29 | 5128.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 4.49 | 4.49 | 32359.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 141.25 | nM | 6.85 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 15115383 |
| Histamine H3 receptor | EC50 | = | 354.81 | nM | 6.45 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
| Histamine H4 receptor | Ki | = | 5128.61 | nM | 5.29 | Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-N... | 15115383 |
| Histamine H4 receptor | EC50 | = | 32359.37 | nM | 4.49 | 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 |
| 15115383 | 10.1021/jm049932u | Histamine H3 receptor | 2 |
| 15115383 | 10.1021/jm049932u | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine