Compound Detail
CHEMBL2426552
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Basic Information
| ChEMBL ID | CHEMBL2426552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCXCRQXPSAIBV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.7
MW (Da)
3.65
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Fatty acid synthase CHEMBL4512 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
| 3-oxoacyl-(Acyl-carrier protein) reductase CHEMBL2424511 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of recombinant Plasmodium falciparum FabI using crotonoyl-CoA as subs... | 24063369 |
| Fatty acid synthase | IC50 | = | 16300.0 | nM | 4.79 | Inhibition of recombinant Plasmodium falciparum FabZ using crotonoyl-CoA as subs... | 24063369 |
| 3-oxoacyl-(Acyl-carrier protein) reductase | IC50 | = | 99000.0 | nM | 4.0 | Inhibition of recombinant Plasmodium falciparum 3D7 FabG using acetoacetyl-CoA a... | 24063369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24063369 | 10.1021/jm400637m | Unchecked | 2 |
| 24063369 | 10.1021/jm400637m | Plasmodium falciparum | 1 |
| 24063369 | 10.1021/jm400637m | L6 | 1 |
| 24063369 | 10.1021/jm400637m | 3-oxoacyl-(Acyl-carrier protein) reductase | 1 |
| 24063369 | 10.1021/jm400637m | Fatty acid synthase | 1 |
Data from ChEMBL 36 via Core Engine