Compound Detail
CHEMBL502339
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Basic Information
| ChEMBL ID | CHEMBL502339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCAARVUCNCRTPF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.24
ALogP
4
HBA
4
HBD
93.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.79 | 8.79 | 1.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Histamine H2 receptor CHEMBL2882 | EC50 | 7.68 | 7.55 | 21.0 | 2 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 1.64 | nM | 8.79 | Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexp... | 18950149 |
| Histamine H4 receptor | EC50 | = | 6.3 | nM | 8.2 | Activity at human recombinant histamine H4 receptor-RGS4 fusion protein expresse... | 18950149 |
| Histamine H2 receptor | EC50 | = | 21.0 | nM | 7.68 | Activity at guinea pig recombinant histamine H2 receptor-Gsalpha fusion protein ... | 18950149 |
| Histamine H2 receptor | EC50 | = | 38.02 | nM | 7.42 | Agonist activity at histamine H2 receptor in guinea pig spontaneously beating ri... | 18950149 |
| Histamine H2 receptor | EC50 | = | 109.0 | nM | 6.96 | Activity at human recombinant histamine H2 receptor-Gsalpha fusion protein expre... | 18950149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18950149 | 10.1021/jm800841w | Histamine H2 receptor | 9 |
| 18950149 | 10.1021/jm800841w | Histamine H1 receptor | 3 |
| 18950149 | 10.1021/jm800841w | Histamine H3 receptor | 3 |
| 18950149 | 10.1021/jm800841w | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine