Compound Detail
CHEMBL379011
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CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6CC)C4C3)c(=O)[nH]2)ccc1C
Basic Information
| ChEMBL ID | CHEMBL379011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHUPOJRARUNHOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
672.8
MW (Da)
5.09
ALogP
9
HBA
3
HBD
132.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase III PolC-type CHEMBL3897 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase III PolC-type | Ki | = | 37.0 | nM | 7.43 | Binding affinity to Bacillus subtilis DNA polymerase3C | 16480282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480282 | 10.1021/jm0510023 | Staphylococcus aureus | 3 |
| 16480282 | 10.1021/jm0510023 | Enterococcus faecium | 2 |
| 16480282 | 10.1021/jm0510023 | DNA polymerase III PolC-type | 1 |
| 16480282 | 10.1021/jm0510023 | Bacillus subtilis | 1 |
| 16480282 | 10.1021/jm0510023 | Enterococcus faecalis | 1 |
| 16480282 | 10.1021/jm0510023 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine