Compound Detail
CHEMBL1782893
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CN1C(=O)[C@@H](N)CCC/C=C\CC[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL1782893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUXMJBYUZCTCOD-BLSPALAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
2.41
ALogP
5
HBA
4
HBD
124.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 10800.0 | nM | 4.97 | Inhibition of catalytic activity of recombinant human IRAP transfected in human ... | 21476495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21476495 | 10.1021/jm200036n | Aminopeptidase N | 1 |
| 21476495 | 10.1021/jm200036n | Leucyl-cystinyl aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine