Compound Detail
CHEMBL2180995
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Basic Information
| ChEMBL ID | CHEMBL2180995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBAHBNBSTKMKLS-GDNBJRDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.03
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 69.0 | nM | 7.16 | Inhibition of Plasmodium falciparum AM1 using Leu-pNA as substrate preincubated ... | 23176597 |
| Aminopeptidase N | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of porcine kidney microsomal neutral aminopeptidase using Leu-pNA as ... | 23176597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23176597 | 10.1021/jm301506h | Aminopeptidase N | 1 |
| 23176597 | 10.1021/jm301506h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine