Compound Detail
CHEMBL2179977
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Basic Information
| ChEMBL ID | CHEMBL2179977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGGMLBMTMITBEG-AKXYIILFSA-N |
| Parent Compound | CHEMBL2220913 |
| Active Moiety | CHEMBL2220913 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
43.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 7.08 | 7.08 | 83.0 | 1 |
| Cytosol aminopeptidase CHEMBL1671610 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 83.0 | nM | 7.08 | Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by... | 22796349 |
| Cytosol aminopeptidase | Ki | = | 40000.0 | nM | 4.4 | Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrat... | 22796349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22796349 | 10.1016/j.bmc.2012.06.041 | Unchecked | 1 |
| 22796349 | 10.1016/j.bmc.2012.06.041 | Leukotriene A-4 hydrolase | 1 |
| 22796349 | 10.1016/j.bmc.2012.06.041 | Cytosol aminopeptidase | 1 |
| 22796349 | 10.1016/j.bmc.2012.06.041 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine