Compound Detail
CHEMBL227647
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Basic Information
| ChEMBL ID | CHEMBL227647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGLNYPLOLMJFGU-SILNSSARSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.50
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.18
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | Ki | 5.18 | 5.16 | 6600.0 | 2 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | Ki | = | 6600.0 | nM | 5.18 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
| Enoyl-acyl-carrier protein reductase | Ki | = | 7300.0 | nM | 5.14 | 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 |
Data from ChEMBL 36 via Core Engine