Compound Detail
CHEMBL599702
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Basic Information
| ChEMBL ID | CHEMBL599702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTDBAHFMTAMGMZ-ZHZULCJRSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.99
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.89
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.96 | 7.66 | 11.0 | 3 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.89 | 7.3175 | 12.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.0 | nM | 7.96 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | EC50 | = | 12.82 | nM | 7.89 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 20.29 | nM | 7.69 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
| Plasmodium falciparum | IC50 | = | 36.0 | nM | 7.44 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | EC50 | = | 86.2 | nM | 7.06 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 233.7 | nM | 6.63 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 2 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| - | 10.6019/CHEMBL2113921 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.6019/CHEMBL2113921 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine