Compound Detail
CHEMBL1915536
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Basic Information
| ChEMBL ID | CHEMBL1915536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYHGRCCPOJIRHJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
7
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
0.92
ALogP
6
HBA
3
HBD
79.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 10.47 | 9.62 | 0.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 77.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 57.0 | % | Rattus norvegicus |
| T1/2 | 6.9 | hr | Rattus norvegicus |
| T1/2 | 19.0 | hr | Canis lupus familiaris |
| Vd | 48.0 | L.kg-1 | Canis lupus familiaris |
| Vd | 49.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 0.034 | nM | 10.47 | Antagonist activity at full length human H4R expressed in HEK293 cells assessed ... | 21920751 |
| Histamine H4 receptor | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H]-histamine from full length human H4R expressed in HEK293 ce... | 21920751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920751 | 10.1016/j.bmcl.2011.07.125 | Rattus norvegicus | 10 |
| 21920751 | 10.1016/j.bmcl.2011.07.125 | Canis familiaris | 4 |
| 21920751 | 10.1016/j.bmcl.2011.07.125 | Histamine H4 receptor | 2 |
| 21920751 | 10.1016/j.bmcl.2011.07.125 | Liver microsomes | 2 |
| 21920751 | 10.1016/j.bmcl.2011.07.125 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine