Compound Detail
CHEMBL213912
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Basic Information
| ChEMBL ID | CHEMBL213912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSRSEANZUZHDHK-UHFFFAOYSA-N |
4
Targets
16
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.77
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 8.22
Kd 4 meas. best 7.97
EC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.22 | 7.582 | 6.0 | 5 |
| Histamine H1 receptor CHEMBL231 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.11 | 8.1 | 7.8 | 3 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.97 | 7.6625 | 10.7 | 4 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.06 | 5.06 | 8709.6 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.04 | 5.04 | 9120.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854056 | 10.1021/jm051008s | Histamine H4 receptor | 11 |
| 16854056 | 10.1021/jm051008s | Histamine H1 receptor | 4 |
| 16854056 | 10.1021/jm051008s | Histamine H3 receptor | 3 |
| 16854056 | 10.1021/jm051008s | Histamine H2 receptor | 2 |
| 16854056 | 10.1021/jm051008s | Histamine receptor (H3 and H4) | 1 |
| 16854056 | 10.1021/jm051008s | Unchecked | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H4 receptor | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H1 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 1 |
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H4 receptor | 1 |
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine