Compound Detail
CHEMBL428194
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CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)C2c2cccc(Br)c2)nc1C
Basic Information
| ChEMBL ID | CHEMBL428194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSVDCJNAOGIWTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.4
MW (Da)
5.31
ALogP
7
HBA
1
HBD
96.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of bacterial glucosamine-6-phosphate synthase by colorimetric morgan-... | 17291748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17291748 | 10.1016/j.bmcl.2007.01.052 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine