Compound Detail
CHEMBL1808653
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Basic Information
| ChEMBL ID | CHEMBL1808653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTKWQQCQPDWVTR-ULJHMMPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.59
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 CHEMBL1795135 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells as... | 21742506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21742506 | 10.1016/j.bmc.2011.06.048 | Escherichia coli | 1 |
| 21742506 | 10.1016/j.bmc.2011.06.048 | Pseudomonas fluorescens | 1 |
| 21742506 | 10.1016/j.bmc.2011.06.048 | Bacillus subtilis | 1 |
| 21742506 | 10.1016/j.bmc.2011.06.048 | Staphylococcus aureus | 1 |
| 21742506 | 10.1016/j.bmc.2011.06.048 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 1 |
| 21742506 | 10.1016/j.bmc.2011.06.048 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine