Compound Detail
CHEMBL373579
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Basic Information
| ChEMBL ID | CHEMBL373579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMQRDCNEFGNPAL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.0
MW (Da)
4.91
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]histamine from human recombinant histamine H4 receptor expre... | 16990005 |
| Histamine H4 receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16990005 | 10.1016/j.bmcl.2006.08.117 | Histamine H4 receptor | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine