Compound Detail
CHEMBL99170
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Basic Information
| ChEMBL ID | CHEMBL99170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPCDGNQEAIAECL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.99
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.1 | 6.0133 | 799.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 892.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 799.0 | nM | 6.1 | In vitro antiplasmodial activity against Plasmodium falciparum D10 | 10649984 |
| Unchecked | IC50 | = | 892.0 | nM | 6.05 | Normalised IC50 was measured | 12139464 |
| Plasmodium falciparum | IC50 | = | 1060.0 | nM | 5.97 | In vitro antiplasmodial activity against chloroquine-sensitive Plasmodium falcip... | 12139464 |
| Plasmodium falciparum | IC50 | = | 1060.0 | nM | 5.97 | Antiplasmodial activity against Plasmodium falciparum D10 assessed as inhibition... | 37014977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139464 | 10.1021/jm020858u | ADMET | 3 |
| 12139464 | 10.1021/jm020858u | Histidine-rich protein PFHRP-II | 2 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 2 |
| 12139464 | 10.1021/jm020858u | Plasmodium falciparum | 1 |
| 12139464 | 10.1021/jm020858u | Unchecked | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Unchecked | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Ferriprotoporphyrin IX | 1 |
| 37014977 | 10.1021/acs.jmedchem.2c02015 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine