Compound Detail
CHEMBL340740
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Basic Information
| ChEMBL ID | CHEMBL340740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSDMEHVZVQRYNG-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.14
ALogP
3
HBA
2
HBD
65.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.82
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.82 | 7.712 | 15.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 7.943 | nM | 8.1 | Antagonistic activity at human histamine H4 receptor in SK-N-MC cells by inhibit... | 16366610 |
| Histamine H4 receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]- histamine from the recombinant human histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Ki | = | 15.0 | nM | 7.82 | Antagonist activity at Homo sapiens (human) histamine H4 receptor | - |
| Histamine H4 receptor | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]histamine from wild type human histamine H4 receptor transfe... | - |
| Histamine H4 receptor | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 22749391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 2 |
| - | 10.1007/s00044-004-0106-7 | Histamine H4 receptor | 2 |
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 1 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Histamine H4 receptor | 1 |
| - | 10.1039/C2MD20212C | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine