Compound Detail
CHEMBL3114202
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Basic Information
| ChEMBL ID | CHEMBL3114202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGFKSIAROJRJDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.11
ALogP
7
HBA
2
HBD
112.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL3085613 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.1 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 min... | 24405701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24405701 | 10.1016/j.bmcl.2013.12.080 | No relevant target | 1 |
| 24405701 | 10.1016/j.bmcl.2013.12.080 | Plasma | 1 |
| 24405701 | 10.1016/j.bmcl.2013.12.080 | Streptococcus pneumoniae | 1 |
| 24405701 | 10.1016/j.bmcl.2013.12.080 | Staphylococcus aureus | 1 |
| 24405701 | 10.1016/j.bmcl.2013.12.080 | Mycobacterium tuberculosis | 1 |
| 24405701 | 10.1016/j.bmcl.2013.12.080 | DNA gyrase subunit B | 1 |
Data from ChEMBL 36 via Core Engine