Compound Detail
CHEMBL4595327
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Basic Information
| ChEMBL ID | CHEMBL4595327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLLZULWFESFQOY-GFCCVEGCSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.07
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.92 | 7.91 | 12.0 | 2 |
| Histamine H4 receptor CHEMBL5657 | Ki | 7.51 | 7.51 | 30.9 | 1 |
| Histamine H4 receptor CHEMBL5657 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 12.02 | nM | 7.92 | Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expres... | 32420741 |
| Histamine H4 receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombin... | 32420741 |
| Histamine H4 receptor | Ki | = | 30.9 | nM | 7.51 | Inhibition of UR-DEBa242 binding to mouse recombinant NLuc/GPCR-fused H4R expres... | 32420741 |
| Histamine H4 receptor | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at mouse recombinant H4R expressed in HEK293T cells by beta-arr... | 32420741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H4 receptor | 5 |
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine