Compound Detail
CHEMBL2204953
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Basic Information
| ChEMBL ID | CHEMBL2204953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBAYKXZXONVVTA-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
1.71
ALogP
3
HBA
4
HBD
90.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Aminopeptidase N CHEMBL1907 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 410.0 | nM | 6.39 | Inhibition of APN in porcine kidney microsome assessed as inhibition of L-Leu-p-... | 24900417 |
| Aminopeptidase N | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of APN in human ES2 cell surface assessed as inhibition of L-Leu-p-ni... | 24900417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900417 | 10.1021/ml3000758 | ADMET | 2 |
| 24900417 | 10.1021/ml3000758 | Aminopeptidase N | 2 |
| 24900417 | 10.1021/ml3000758 | Unchecked | 1 |
| 24900417 | 10.1021/ml3000758 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine