Compound Detail
CHEMBL373909
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Basic Information
| ChEMBL ID | CHEMBL373909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUQHQGUXCHFPCY-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.65
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
EC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Falcipain 2 CHEMBL5800 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.3 | 4.29 | 50100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of VCP assessed as conversion of ATP to ADP by enzyme coupled glucoki... | 20137940 |
| Leishmania donovani | IC50 | = | 11500.0 | nM | 4.94 | Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs ... | 15588096 |
| Falcipain 2 | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 15588096 |
| Plasmodium falciparum | EC50 | = | 50100.0 | nM | 4.3 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 15588096 |
| Plasmodium falciparum | EC50 | = | 52000.0 | nM | 4.28 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 a... | 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 | Vero | 1 |
| 15588096 | 10.1021/jm0493717 | Cysteine protease | 1 |
| 15588096 | 10.1021/jm0493717 | Leishmania donovani | 1 |
| 19994864 | 10.1021/jm901457w | NON-PROTEIN TARGET | 1 |
| 19994864 | 10.1021/jm901457w | Unchecked | 1 |
| 20137940 | 10.1016/j.bmcl.2010.01.058 | Transitional endoplasmic reticulum ATPase | 1 |
| 25305331 | 10.1016/j.ejmech.2014.09.086 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine