Compound Detail
CHEMBL479383
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL479383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJHSPFFWIXGDBB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
18
PK Parameters
20
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.16
ALogP
6
HBA
2
HBD
74.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
EC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL3738 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3975.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 13117.5 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3180.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 23969.25 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 0.18 | L/hr | Rattus norvegicus |
| CL | 5.6 | L/hr | Canis lupus familiaris |
| Cmax | 2200.0 | nM | Rattus norvegicus |
| Cmax | 2200.0 | nM | Rattus norvegicus |
| Cmax | 2800.0 | nM | Canis lupus familiaris |
| Cmax | 26000.0 | nM | Canis lupus familiaris |
| F | 65.0 | % | Rattus norvegicus |
| F | 150.0 | % | Canis lupus familiaris |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| T1/2 | 5.6 | hr | Rattus norvegicus |
| T1/2 | 3.6 | hr | Canis lupus familiaris |
| T1/2 | 6.9 | hr | Canis lupus familiaris |
| Tmax | 5.3 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay | 18588282 |
| Leukotriene A-4 hydrolase | IC50 | = | 104.0 | nM | 6.98 | Inhibition of leukotriene A4 hydrolase activity in CD1 mouse whole blood assesse... | 18588282 |
| Mus musculus | EC50 | = | 760.0 | nM | 6.12 | Ex vivo antiinflammatory activity against arachidonic acid-induced ear inflammat... | 18588282 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of dofetilide binding to human ERG by patch clamp assay | 23127888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18588282 | 10.1021/jm701575k | Rattus norvegicus | 13 |
| 18588282 | 10.1021/jm701575k | Unchecked | 11 |
| 18588282 | 10.1021/jm701575k | Canis familiaris | 10 |
| 18588282 | 10.1021/jm701575k | Mus musculus | 4 |
| 18588282 | 10.1021/jm701575k | Plasma | 4 |
| 18588282 | 10.1021/jm701575k | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 18588282 | 10.1021/jm701575k | Leukotriene A-4 hydrolase | 2 |
| 18588282 | 10.1021/jm701575k | C-X-C chemokine receptor type 2 | 2 |
| 18588282 | 10.1021/jm701575k | Melanocortin receptor 4 | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 18588282 | 10.1021/jm701575k | Adenosine receptor A2a | 1 |
| 18588282 | 10.1021/jm701575k | Adenosine receptor A1 | 1 |
| 18588282 | 10.1021/jm701575k | 5-hydroxytryptamine receptor 5A | 1 |
| 18588282 | 10.1021/jm701575k | 5-hydroxytryptamine receptor 2A | 1 |
| 18588282 | 10.1021/jm701575k | 5-hydroxytryptamine receptor 1B | 1 |
| 18588282 | 10.1021/jm701575k | Vasopressin V1a receptor | 1 |
| 18588282 | 10.1021/jm701575k | Muscarinic acetylcholine receptor M2 | 1 |
| 18588282 | 10.1021/jm701575k | Galanin receptor type 2 | 1 |
| 18588282 | 10.1021/jm701575k | Type-1 angiotensin II receptor | 1 |
| 18588282 | 10.1021/jm701575k | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine