Compound Detail
CHEMBL3236572
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Basic Information
| ChEMBL ID | CHEMBL3236572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYMGHIAMJHEVHC-CYBMUJFWSA-N |
1
Targets
2
Activities
2
Assay Types
20
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
1.45
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.0
Ki 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.44 | 7.44 | 36.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 17002.8 | ng.hr.mL-1 | Mus musculus |
| AUC | 3117.18 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7877.96 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2295.38 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 12752.1 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 5.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 258.33 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 8500.0 | nM | Mus musculus |
| Cmax | 1600.0 | nM | Rattus norvegicus |
| Cmax | 4200.0 | nM | Canis lupus familiaris |
| F | 50.0 | % | Rattus norvegicus |
| F | 112.0 | % | Canis lupus familiaris |
| T1/2 | 5.2 | hr | Mus musculus |
| T1/2 | 5.3 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Canis lupus familiaris |
| T1/2 | 10.0 | hr | Canis lupus familiaris |
| Tmax | 0.5 | hr | Mus musculus |
| Tmax | 5.0 | hr | Rattus norvegicus |
| Tmax | 0.6 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 10.0 | nM | 8.0 | Antagonist activity at human histamine H4 receptor expressed in SK-N-MC cells as... | 24495018 |
| Histamine H4 receptor | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]histamine from human recombinant histamine H4 receptor expre... | 24495018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24495018 | 10.1021/jm401727m | Rattus norvegicus | 9 |
| 24495018 | 10.1021/jm401727m | Canis familiaris | 9 |
| 24495018 | 10.1021/jm401727m | Mus musculus | 4 |
| 24495018 | 10.1021/jm401727m | Histamine H4 receptor | 3 |
| 24495018 | 10.1021/jm401727m | Plasma | 2 |
Data from ChEMBL 36 via Core Engine