Compound Detail
CHEMBL5505766
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
C[C@H](Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5505766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKRVKAWHBYVSDZ-LBPRGKRZSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
3.59
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.52
Kd 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.52 | 6.9075 | 3.0 | 4 |
| Unchecked CHEMBL612545 | Kd | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 462.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 3.0 | nM | 8.52 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 asse... | 38554474 |
| Plasmodium falciparum | EC50 | = | 22.0 | nM | 7.66 | Antimalarial activity against asexual blood stage Plasmodium falciparum 3D7 asse... | 38554474 |
| Unchecked | Kd | = | 66.0 | nM | 7.18 | Binding affinity to recombinant Plasmodium falciparum START1 assessed as dissoci... | 38554474 |
| Plasmodium falciparum | EC50 | = | 1700.0 | nM | 5.77 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 harb... | 38554474 |
| Plasmodium falciparum | EC50 | = | 2100.0 | nM | 5.68 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 harb... | 38554474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38554474 | 10.1016/j.ejmech.2024.116354 | Plasmodium falciparum | 4 |
| 38554474 | 10.1016/j.ejmech.2024.116354 | Unchecked | 3 |
| 38554474 | 10.1016/j.ejmech.2024.116354 | ADMET | 2 |
| 38554474 | 10.1016/j.ejmech.2024.116354 | No relevant target | 2 |
| 38554474 | 10.1016/j.ejmech.2024.116354 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine