Compound Detail
CHEMBL502347
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Basic Information
| ChEMBL ID | CHEMBL502347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDTRYHWIXVHTLM-GFCCVEGCSA-N |
3
Targets
6
Activities
2
Assay Types
8
PK Parameters
19
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
1.75
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.42
EC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.33 | 8.32 | 4.7 | 3 |
| Histamine H4 receptor CHEMBL5657 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 323.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1188.33 | mL.min-1.kg-1 | Mus musculus |
| F | 34.0 | % | Rattus norvegicus |
| F | 90.0 | % | Rattus norvegicus |
| T1/2 | 2.6 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Mus musculus |
| Vd | 131.0 | L.kg-1 | Mus musculus |
| Vd | 72.9 | 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 | = | 3.802 | nM | 8.42 | Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293... | 18817367 |
| Histamine H4 receptor | Ki | = | 4.677 | nM | 8.33 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18817367 |
| Histamine H4 receptor | Ki | = | 4.7 | nM | 8.33 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18817367 |
| Histamine H4 receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | EC50 | = | 5.754 | nM | 8.24 | Antagonist activity at mouse histamine H4 receptor expressed in HEK293 cells ass... | 18817367 |
| Histamine H4 receptor | EC50 | = | 10.0 | nM | 8.0 | Antagonist activity at rat histamine H4 receptor expressed in HEK293 cells asses... | 18817367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817367 | 10.1021/jm800670r | Rattus norvegicus | 9 |
| 18817367 | 10.1021/jm800670r | Unchecked | 9 |
| 18817367 | 10.1021/jm800670r | Histamine H4 receptor | 6 |
| 18817367 | 10.1021/jm800670r | Mus musculus | 5 |
| 18817367 | 10.1021/jm800670r | Liver microsomes | 2 |
| 18817367 | 10.1021/jm800670r | ADMET | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 1 |
| 18817367 | 10.1021/jm800670r | Cannabinoid receptor 2 | 1 |
| 18817367 | 10.1021/jm800670r | Cannabinoid receptor 1 | 1 |
| 18817367 | 10.1021/jm800670r | Delta-type opioid receptor | 1 |
| 18817367 | 10.1021/jm800670r | Kappa-type opioid receptor | 1 |
| 18817367 | 10.1021/jm800670r | Mu-type opioid receptor | 1 |
| 18817367 | 10.1021/jm800670r | Prostaglandin G/H synthase 2 | 1 |
| 18817367 | 10.1021/jm800670r | Prostaglandin G/H synthase 1 | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 2C9 | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 2D6 | 1 |
| 18817367 | 10.1021/jm800670r | Cytochrome P450 3A4 | 1 |
| 18817367 | 10.1021/jm800670r | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine