Compound Detail
CHEMBL1277437
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Basic Information
| ChEMBL ID | CHEMBL1277437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOODOXUTKZODHS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.38
ALogP
6
HBA
2
HBD
97.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 7.7 | 7.64 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 20.0 | nM | 7.7 | Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 c... | 21047126 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 20.0 | nM | 7.7 | Inhibition of catalytic activity of recombinant human IRAP transfected in human ... | 21476495 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 30.0 | nM | 7.52 | Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-... | 24471437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24471437 | 10.1021/jm401540f | No relevant target | 2 |
| 21047126 | 10.1021/jm100793t | Leucyl-cystinyl aminopeptidase | 1 |
| 21476495 | 10.1021/jm200036n | Leucyl-cystinyl aminopeptidase | 1 |
| 24471437 | 10.1021/jm401540f | Leucyl-cystinyl aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine