Compound Detail
CHEMBL220489
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Basic Information
| ChEMBL ID | CHEMBL220489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBTHAUJLBMYILU-FQEVSTJZSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.04
ALogP
4
HBA
5
HBD
123.3
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.47 | 7.335 | 34.0 | 2 |
| MM96L CHEMBL614170 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| NFF CHEMBL614198 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 34.0 | nM | 7.47 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 18212103 |
| Plasmodium falciparum | IC50 | = | 63.0 | nM | 7.2 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 in... | 18212103 |
| MM96L | IC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against human MM96L cells | 17181145 |
| NFF | IC50 | = | 1260.0 | nM | 5.9 | Antiproliferative activity against human NFF cells | 17181145 |
| ADMET | IC50 | = | 1260.0 | nM | 5.9 | Toxicity in neonatal foreskin fibroblasts | 18212103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18212103 | 10.1128/aac.00757-07 | Plasmodium falciparum | 2 |
| 18212103 | 10.1128/aac.00757-07 | Unchecked | 2 |
| 17181145 | 10.1021/jm050214x | NFF | 1 |
| 17181145 | 10.1021/jm050214x | MM96L | 1 |
| 17181145 | 10.1021/jm050214x | Unchecked | 1 |
| 18212103 | 10.1128/aac.00757-07 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine