Compound Detail
CHEMBL2058020
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Basic Information
| ChEMBL ID | CHEMBL2058020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJLSTAQDKKPKRP-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
383.3
MW (Da)
4.35
ALogP
4
HBA
2
HBD
55.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| L6 CHEMBL614793 | IC50 | 6.59 | 6.59 | 258.3 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.26 | 6.26 | 543.0 | 1 |
| BALB/3T3 CHEMBL613876 | IC50 | 6.06 | 6.06 | 869.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.4 | nM | 7.98 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 23360309 |
| MV4-11 | IC50 | = | 12.0 | nM | 7.92 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 22748378 |
| L6 | IC50 | = | 258.3 | nM | 6.59 | Toxicity against rat L6 cells after 72 hrs by Alamar blue assay | 23360309 |
| HCT-116 | IC50 | = | 274.0 | nM | 6.56 | Antiproliferative activity against human HCT116 cells after 72 hrs by SRB assay | 22748378 |
| A549 | IC50 | = | 543.0 | nM | 6.26 | Antiproliferative activity against human A549 cells after 72 hrs by SRB assay | 22748378 |
| BALB/3T3 | IC50 | = | 869.0 | nM | 6.06 | Antiproliferative activity against mouse BALB/3T3 cells after 72 hrs by SRB assa... | 22748378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22748378 | 10.1016/j.bmc.2012.05.054 | BALB/3T3 | 3 |
| 23360309 | 10.1021/jm300887b | Plasmodium falciparum | 2 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | MV4-11 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | A549 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | HCT-116 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | Nucleic Acid | 1 |
| 23360309 | 10.1021/jm300887b | Unchecked | 1 |
| 23360309 | 10.1021/jm300887b | L6 | 1 |
Data from ChEMBL 36 via Core Engine