Compound Detail
CHEMBL2207750
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Basic Information
| ChEMBL ID | CHEMBL2207750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYVQRDNUBADNBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.29
ALogP
6
HBA
0
HBD
58.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3300.0 | nM | Rattus norvegicus |
| F | 125.0 | % | Rattus norvegicus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4... | 23127888 |
| Mus musculus | IC50 | = | 7.0 | nM | 8.15 | Ex vivo inhibition of LTA4 hydrolase in po dosed Balb/c mouse whole blood assess... | 23127888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Rattus norvegicus | 5 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Mus musculus | 3 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine