Compound Detail
CHEMBL1800627
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
CCN(CC)CCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12.CS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL1800627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAHGXLZTGTXMLR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1802544 |
| Active Moiety | CHEMBL1802544 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
5.80
ALogP
5
HBA
1
HBD
56.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 infec... | 21644541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644541 | 10.1021/jm200227r | Plasmodium berghei | 4 |
| 21644541 | 10.1021/jm200227r | Plasmodium falciparum | 1 |
| 21644541 | 10.1021/jm200227r | L6 | 1 |
Data from ChEMBL 36 via Core Engine