Compound Detail
CHEMBL2180993
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Basic Information
| ChEMBL ID | CHEMBL2180993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBULRDFJXZRBJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
1.81
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.88 | 5.88 | 1324.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.44 | 4.44 | 36500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Inhibition of Plasmodium falciparum AM1 using Leu-pNA as substrate preincubated ... | 23176597 |
| Aminopeptidase N | IC50 | = | 1324.0 | nM | 5.88 | Inhibition of porcine kidney microsomal neutral aminopeptidase using Leu-pNA as ... | 23176597 |
| Plasmodium falciparum | IC50 | = | 36500.0 | nM | 4.44 | Antimalarial activity against Plasmodium falciparum K1 infected in human O posit... | 23176597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23176597 | 10.1021/jm301506h | MRC5 | 1 |
| 23176597 | 10.1021/jm301506h | Aminopeptidase N | 1 |
| 23176597 | 10.1021/jm301506h | Unchecked | 1 |
| 23176597 | 10.1021/jm301506h | Plasmodium falciparum | 1 |
| 28337326 | 10.1021/acsmedchemlett.6b00505 | Endoplasmic reticulum aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine