Compound Detail
CHEMBL70878
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Basic Information
| ChEMBL ID | CHEMBL70878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGGGPCQERPFHOB-IHRRRGAJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
0.53
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.77
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosol aminopeptidase CHEMBL3965 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosol aminopeptidase | Ki | = | 17000.0 | nM | 4.77 | Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhi... | 6142952 |
| Leukotriene A-4 hydrolase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes | 8423594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142952 | 10.1021/jm00370a001 | Aminopeptidase N | 2 |
| 8423594 | 10.1021/jm00054a004 | Leukotriene A-4 hydrolase | 1 |
| 6142952 | 10.1021/jm00370a001 | Cytosol aminopeptidase | 1 |
| - | 10.1016/S0960-894X(01)80464-9 | Leukotriene A-4 hydrolase | 1 |
| 850237 | 10.1021/jm00214a010 | Unchecked | 1 |
| 850237 | 10.1021/jm00214a010 | No relevant target | 1 |
| 850237 | 10.1021/jm00214a010 | Aminopeptidase B | 1 |
Data from ChEMBL 36 via Core Engine