Compound Detail
CHEMBL3233382
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Basic Information
| ChEMBL ID | CHEMBL3233382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQXQIQQNOMBJNW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.95
ALogP
4
HBA
2
HBD
55.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.5 | 7.5 | 31.4 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| L6 CHEMBL614793 | IC50 | 6.72 | 6.72 | 191.6 | 1 |
| BALB/3T3 CHEMBL613876 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 31.4 | nM | 7.5 | Antimalarial activity against erythrocytic stage of chloroquine-sensitive Plasmo... | 24721829 |
| HCT-116 | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human HCT116 cells assessed as cell viability after 72 hrs ... | 24686018 |
| MV4-11 | IC50 | = | 90.0 | nM | 7.05 | Cytotoxicity against human MV4-11 cells assessed as cell viability after 72 hrs ... | 24686018 |
| A549 | IC50 | = | 140.0 | nM | 6.85 | Cytotoxicity against human A549 cells assessed as cell viability after 72 hrs by... | 24686018 |
| L6 | IC50 | = | 191.6 | nM | 6.72 | Cytotoxicity against rat L6 cells after 70 hrs by Alamar Blue assay | 24721829 |
| BALB/3T3 | IC50 | = | 420.0 | nM | 6.38 | Cytotoxicity against mouse BALB/3T3 cells assessed as cell viability after 72 hr... | 24686018 |
| Unchecked | IC50 | = | 29500.0 | nM | 4.53 | Binding affinity to haematin assessed as inhibition of beta-haematin formation a... | 24721829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24721829 | 10.1016/j.bmc.2014.03.030 | Plasmodium falciparum | 2 |
| 24721829 | 10.1016/j.bmc.2014.03.030 | Unchecked | 2 |
| 24686018 | 10.1016/j.ejmech.2014.03.038 | MV4-11 | 1 |
| 24686018 | 10.1016/j.ejmech.2014.03.038 | BALB/3T3 | 1 |
| 24686018 | 10.1016/j.ejmech.2014.03.038 | A549 | 1 |
| 24686018 | 10.1016/j.ejmech.2014.03.038 | HCT-116 | 1 |
| 24721829 | 10.1016/j.bmc.2014.03.030 | L6 | 1 |
Data from ChEMBL 36 via Core Engine