Compound Detail
CHEMBL224916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL224916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFLYKJDOCKZJGW-GRSHGNNSSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
1.89
ALogP
8
HBA
4
HBD
136.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.54 | 1550.0 | 3 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
| Falcipain 2 CHEMBL5800 | IC50 | 4.51 | 4.51 | 31100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1550.0 | nM | 5.81 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Unchecked | IC50 | = | 2205.0 | nM | 5.66 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 7132.0 | nM | 5.15 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 24600.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Falcipain 2 | IC50 | = | 31100.0 | nM | 4.51 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 15588096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588096 | 10.1021/jm0493717 | Plasmodium falciparum | 2 |
| 15588096 | 10.1021/jm0493717 | Falcipain 2 | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease falcipain-3 | 1 |
| 15588096 | 10.1021/jm0493717 | Leishmania donovani | 1 |
| 15588096 | 10.1021/jm0493717 | Vero | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease | 1 |
Data from ChEMBL 36 via Core Engine