Compound Detail
CHEMBL78838
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Basic Information
| ChEMBL ID | CHEMBL78838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQMRECYOUIKYGG-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
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
Ki 4 meas. best 7.28
EC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 7.41 | 7.13 | 38.9 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.28 | 7.2 | 52.5 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.0 | 6.58 | 100.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 4.82 | 4.82 | 15135.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 38.9 | nM | 7.41 | Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC ce... | 15115383 |
| Histamine H3 receptor | Ki | = | 52.48 | nM | 7.28 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 15115383 |
| Histamine H3 receptor | Ki | = | 76.0 | nM | 7.12 | Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor e... | 20690643 |
| Histamine H4 receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells ... | 21782429 |
| Histamine H3 receptor | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at human histamine H3 receptor expressed in CHO cells assessed ... | 20690643 |
| Histamine H4 receptor | Ki | = | 691.83 | nM | 6.16 | Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-N... | 15115383 |
| Histamine H4 receptor | EC50 | = | 15135.61 | nM | 4.82 | 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 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | Histamine H4 receptor | 1 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine