Compound Detail
CHEMBL599937
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 | CHEMBL599937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBMDOKFHAUXHRC-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.17
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
EC50 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.79 | 7.59 | 16.1 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 7.11 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 16.12 | nM | 7.79 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... | 20547797 |
| Plasmodium falciparum | EC50 | = | 41.1 | nM | 7.39 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | IC50 | = | 110.0 | nM | 6.96 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum TM90C2... | 20547797 |
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antiplasmodial activity against Plasmodium falciparum 3D7 by SYBR Green 1-based ... | 20547797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 3 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine