Compound Detail
CHEMBL210692
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Basic Information
| ChEMBL ID | CHEMBL210692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEOJMRBCCZJDEC-LBPRGKRZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.82
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 31 CHEMBL2034804 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.06 | 5.06 | 8800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 31 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing c... | 21650152 |
| Plasmodium falciparum | IC50 | = | 8800.0 | nM | 5.06 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | 16722653 |
| Plasmodium falciparum | IC50 | = | 8800.0 | nM | 5.06 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | 20637612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722653 | 10.1021/jm0600545 | Plasmodium falciparum | 2 |
| 16722653 | 10.1021/jm0600545 | Fatty acid synthase | 1 |
| 16722653 | 10.1021/jm0600545 | 3-oxoacyl-acyl-carrier protein reductase | 1 |
| 16722653 | 10.1021/jm0600545 | Enoyl-acyl-carrier protein reductase | 1 |
| 20637612 | 10.1016/j.bmcl.2010.06.120 | Plasmodium falciparum | 1 |
| 20637612 | 10.1016/j.bmcl.2010.06.120 | Enoyl-acyl-carrier protein reductase | 1 |
| 21650152 | 10.1021/np200391c | Taste receptor type 2 member 31 | 1 |
Data from ChEMBL 36 via Core Engine