Compound Detail
CHEMBL2180997
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Basic Information
| ChEMBL ID | CHEMBL2180997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVPIPYSTJHZFRC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
1.06
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.34 | 5.34 | 4550.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.3 | hr | Rattus norvegicus |
| T1/2 | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of Plasmodium falciparum AM1 using Leu-pNA as substrate preincubated ... | 23176597 |
| Aminopeptidase N | IC50 | = | 4550.0 | nM | 5.34 | Inhibition of porcine kidney microsomal neutral aminopeptidase using Leu-pNA as ... | 23176597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28985084 | 10.1021/acs.jmedchem.7b01444 | Plasma | 3 |
| 23176597 | 10.1021/jm301506h | MRC5 | 1 |
| 23176597 | 10.1021/jm301506h | Plasmodium falciparum | 1 |
| 23176597 | 10.1021/jm301506h | Aminopeptidase N | 1 |
| 23176597 | 10.1021/jm301506h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine