Compound Detail
CHEMBL5801596
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C[C@H]1CC[C@H](Oc2ccnc(C[C@](O)(C(=O)O)[C@@H](N)CSC3CCC3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5801596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRFXNSXTSGADOC-HUXIJIEQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
3.01
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL3712 | IC50 | 8.77 | 8.77 | 1.7 | 2 |
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | IC50 | 8.35 | 8.35 | 4.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of IRAP Assay: Rat epididymal fat pads were homogenized and subjected... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 1.7 | nM | 8.77 | Inhibition Activity Assay: IRAP: Rat epididymal fat pads were homogenized and su... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 4.5 | nM | 8.35 | Inhibition of Human P-LAP (hP-LAP) Assay: HEK293 cells forced to transiently exp... | - |
| Leucyl-cystinyl aminopeptidase | IC50 | = | 4.5 | nM | 8.35 | Inhibition Activity Assay: hP-LAP: HEK293 cells forced to transiently express hP... | - |
Data from ChEMBL 36 via Core Engine