Compound Detail
CHEMBL3321979
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Basic Information
| ChEMBL ID | CHEMBL3321979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHPPALPUTMVHEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.8
MW (Da)
5.18
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 6.995 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 80.0 | nM | 7.1 | Antiplasmodial activity against Plasmodium falciparum NF54 by SYBR-green based a... | 25007124 |
| Plasmodium falciparum | IC50 | = | 130.0 | nM | 6.89 | Antiplasmodial activity against Plasmodium falciparum K1 by SYBR-green based ass... | 25007124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25007124 | 10.1021/jm500715u | Plasmodium falciparum | 2 |
| 25007124 | 10.1021/jm500715u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine