Compound Detail
CHEMBL5966032
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Basic Information
| ChEMBL ID | CHEMBL5966032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWLNKRWVJHVVKW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.35
ALogP
3
HBA
1
HBD
48.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | Ki | 8.7 | 7.535 | 2.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 2.0 | nM | 8.7 | Jump dilution assay: 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preinc... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 7.3 | nM | 8.14 | Tight-binding assay: Kinetics were performed on a Cary 100 spectrophotometer (Va... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 203.0 | nM | 6.69 | Jump dilution assay: 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preinc... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 246.0 | nM | 6.61 | Tight-binding assay: Kinetics were performed on a Cary 100 spectrophotometer (Va... | - |
Data from ChEMBL 36 via Core Engine