Compound Detail
CHEMBL376895
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Basic Information
| ChEMBL ID | CHEMBL376895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJPWSHCUMPAXLD-XNTDXEJSSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
7
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 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.1 | hr | Rattus norvegicus |
| T1/2 | 24.0 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | 17326615 |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Plasmodium falciparum AM1 using Leu-pNA as substrate preincubated ... | 23176597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326615 | 10.1021/jm061169b | Aminopeptidase N | 2 |
| 17326615 | 10.1021/jm061169b | No relevant target | 2 |
| 19821586 | 10.1021/jm900648x | Plasma | 2 |
| 19821586 | 10.1021/jm900648x | No relevant target | 2 |
| 17326615 | 10.1021/jm061169b | Rattus norvegicus | 1 |
| 23176597 | 10.1021/jm301506h | Aminopeptidase N | 1 |
| 23176597 | 10.1021/jm301506h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine