Compound Detail
CHEMBL3216972
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Basic Information
| ChEMBL ID | CHEMBL3216972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRCOVZLJQBPMGP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789394 |
| Active Moiety | CHEMBL1789394 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.07
ALogP
2
HBA
5
HBD
115.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.7 | nM | 9.15 | Antiparasitic activity against Plasmodium falciparum K1 | 20031421 |
| Trypanosoma brucei rhodesiense | IC50 | = | 4.0 | nM | 8.4 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 | 20031421 |
| L6 | IC50 | = | 38900.0 | nM | 4.41 | Cytotoxicity against rat L6 cells | 20031421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20031421 | 10.1016/j.bmc.2009.12.011 | Trypanosoma brucei rhodesiense | 2 |
| 20031421 | 10.1016/j.bmc.2009.12.011 | Unchecked | 2 |
| 20031421 | 10.1016/j.bmc.2009.12.011 | Poly(dA-dT)oligonucleotide | 1 |
| 20031421 | 10.1016/j.bmc.2009.12.011 | L6 | 1 |
| 20031421 | 10.1016/j.bmc.2009.12.011 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine