Compound Detail
CHEMBL5413640
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Basic Information
| ChEMBL ID | CHEMBL5413640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTRQYXOMSWJOOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
4.23
ALogP
5
HBA
2
HBD
95.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1826 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.009 | - | Homo sapiens |
| Fu | 0.11 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 360.0 | nM | 6.44 | Inhibition of Escherichia coli full length wildtype GyrB24 (residue 1 to 220) su... | 36634346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36634346 | 10.1021/acs.jmedchem.2c01597 | Unchecked | 5 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | Escherichia coli | 2 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | Acinetobacter baumannii | 2 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | Pseudomonas aeruginosa | 2 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | ADMET | 2 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | DNA gyrase subunit B | 1 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine