Compound Detail
CHEMBL6053091
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N[C@@H](c1ccc(-c2cccnc2)cc1)[C@](O)(Cc1cc(OC2CCCCC2)ccn1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL6053091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWWHKHPXABJLRH-AZGAKELHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.91
ALogP
6
HBA
3
HBD
118.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | IC50 | 8.74 | 8.74 | 1.8 | 2 |
| Leucyl-cystinyl aminopeptidase CHEMBL3712 | IC50 | 8.72 | 8.72 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of Human P-LAP (hP-LAP) Assay: HEK293 cells forced to transiently exp... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.8 | nM | 8.74 | Inhibition Activity Assay: hP-LAP: HEK293 cells forced to transiently express hP... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.9 | nM | 8.72 | Inhibition of IRAP Assay: Rat epididymal fat pads were homogenized and subjected... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.9 | nM | 8.72 | Inhibition Activity Assay: IRAP: Rat epididymal fat pads were homogenized and su... | - |
Data from ChEMBL 36 via Core Engine