Compound Detail
CHEMBL91576
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Basic Information
| ChEMBL ID | CHEMBL91576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMCPLFMUIIAJCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
5.35
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 6.62 | 6.62 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 240.0 | nM | 6.62 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
| Histamine H4 receptor | Ki | = | 240.0 | nM | 6.62 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H4 receptor | 3 |
| 15115409 | 10.1021/jm031065q | Histamine H3 receptor | 1 |
| 15115409 | 10.1021/jm031065q | Mus musculus | 1 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine