Compound Detail
CHEMBL2398663
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Basic Information
| ChEMBL ID | CHEMBL2398663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCEOHJLRTQYDSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
3.20
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL2150835 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI express... | 23815100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23815100 | 10.1021/jm4001242 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1 |
Data from ChEMBL 36 via Core Engine