Compound Detail
CHEMBL1276315
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Basic Information
| ChEMBL ID | CHEMBL1276315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJZPHYIXNUOVJU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
9
PK Parameters
14
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
0.49
ALogP
7
HBA
2
HBD
130.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.05 | 4.785 | 9000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 31000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 27600.0 | ng.hr.mL-1 | Mus musculus |
| CL | 11.62 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 41939.36 | nM | Mus musculus |
| Cmax | 41939.36 | nM | Mus musculus |
| F | 94.7 | % | Mus musculus |
| T1/2 | 1.22 | hr | Mus musculus |
| T1/2 | 0.927 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of Escherichia coli DNA gyrase by gel electrophoresis | 18519725 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of Escherichia coli DNA topoisomerase 4 by gel electrophoresis | 18519725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18519725 | 10.1128/aac.00247-08 | Staphylococcus aureus | 28 |
| 18519725 | 10.1128/aac.00247-08 | Mus musculus | 11 |
| 18519725 | 10.1128/aac.00247-08 | Streptococcus pneumoniae | 8 |
| 18519725 | 10.1128/aac.00247-08 | Unchecked | 3 |
| 18519725 | 10.1128/aac.00247-08 | Escherichia coli | 3 |
| 18519725 | 10.1128/aac.00247-08 | Haemophilus influenzae | 2 |
| 18519725 | 10.1128/aac.00247-08 | Staphylococcus epidermidis | 1 |
| 18519725 | 10.1128/aac.00247-08 | Streptococcus pyogenes | 1 |
| 18519725 | 10.1128/aac.00247-08 | Enterococcus faecalis | 1 |
| 18519725 | 10.1128/aac.00247-08 | Enterococcus faecium | 1 |
| 18519725 | 10.1128/aac.00247-08 | Moraxella catarrhalis | 1 |
| 18519725 | 10.1128/aac.00247-08 | Klebsiella pneumoniae | 1 |
| 18519725 | 10.1128/aac.00247-08 | Pseudomonas aeruginosa | 1 |
| 18519725 | 10.1128/aac.00247-08 | MC9 | 1 |
Data from ChEMBL 36 via Core Engine