Compound Detail
CHEMBL376617
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Basic Information
| ChEMBL ID | CHEMBL376617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSRNFZVWAZNIOY-GDNBJRDFSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.06
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | Ki | 5.06 | 5.05 | 8700.0 | 2 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | Ki | = | 8700.0 | nM | 5.06 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | Ki | = | 9100.0 | nM | 5.04 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 3 |
| 17948976 | 10.1021/jm0700159 | Transthyretin | 2 |
Data from ChEMBL 36 via Core Engine