Compound Detail
CHEMBL488937
CG-400549 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL488937 |
| Name | CG-400549 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YCLREGRRHGLOAK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
340.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
57.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase (FabI) inhibitor | INHIBITOR | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | ✓ | ✓ |
Indications
Eczema
Activity Summary
Ki 4 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | Ki | 8.89 | 7.8275 | 1.3 | 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 | = | 1.3 | nM | 8.89 | Jump dilution assay: 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preinc... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 4.7 | nM | 8.33 | Tight-binding assay: Kinetics were performed on a Cary 100 spectrophotometer (Va... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 81.9 | nM | 7.09 | Jump dilution assay: 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preinc... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 99.4 | nM | 7.0 | Tight-binding assay: Kinetics were performed on a Cary 100 spectrophotometer (Va... | - |
Literature References
Data from ChEMBL 36 via Core Engine