Compound Detail
CHEMBL339414
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Basic Information
| ChEMBL ID | CHEMBL339414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHRIRNHMKXDGPC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.12
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Ki 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 6.88 | 6.88 | 131.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 131.83 | nM | 6.88 | Displacement of [3H]histamine from human histamine H4 receptor transfected in SK... | 16854056 |
| Histamine H4 receptor | EC50 | = | 302.0 | nM | 6.52 | Activity at human histamine H4 receptor transfected in SK-N-MC cells by cAMP ass... | 16854056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462978 | 10.1021/jm000242+ | Mus musculus | 15 |
| 16854056 | 10.1021/jm051008s | Histamine H4 receptor | 3 |
| 11462978 | 10.1021/jm000242+ | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine