Compound Detail
CHEMBL129540
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Basic Information
| ChEMBL ID | CHEMBL129540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYGLDYWRZSKBRC-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
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 8.48
Kd 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Histamine H4 receptor CHEMBL3759 | Kd | 8.11 | 8.105 | 7.8 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.1 | 8.025 | 8.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 3.3 | nM | 8.48 | Binding affinity of compound towards rat histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Kd | = | 7.762 | nM | 8.11 | Decrease in the forskolin stimulatedcAMP levels was determined using SK-N-MC cel... | 12954048 |
| 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 | = | 8.0 | nM | 8.1 | Displacement of [3H]- histamine from the recombinant human histamine H4 receptor | 12954048 |
| Histamine H4 receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Ki | = | 8.0 | nM | 8.1 | Antagonist activity at Homo sapiens (human) histamine H4 receptor | - |
| Histamine H4 receptor | Ki | = | 15.85 | nM | 7.8 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 22749391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 3 |
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 2 |
| - | 10.1007/s00044-004-0106-7 | Histamine H4 receptor | 2 |
| 22749391 | 10.1016/j.ejmech.2012.06.016 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine