Compound Detail
CHEMBL3600962
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]1[C@H](OCCNCCNc2ccnc3cc(Cl)ccc23)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL3600962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASCTYTFUZJAWHG-AZPHZNMVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.1
MW (Da)
5.11
ALogP
8
HBA
2
HBD
83.1
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.69 | 7.65 | 20.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.5 | nM | 7.69 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 25913864 |
| Plasmodium falciparum | IC50 | = | 21.5 | nM | 7.67 | Antimalarial activity against Plasmodium falciparum D10 assessed as inhibition o... | 25913864 |
| Plasmodium falciparum | IC50 | = | 25.7 | nM | 7.59 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine