Compound Detail
CHEMBL2058828
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Basic Information
| ChEMBL ID | CHEMBL2058828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATIDIHSQWJUBFD-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.09
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.62 | 7.58 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 24.0 | nM | 7.62 | Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gree... | 22524250 |
| Plasmodium falciparum | EC50 | = | 29.0 | nM | 7.54 | Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR gre... | 22524250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524250 | 10.1021/jm300041e | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine