Compound Detail
CHEMBL5417969
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Cc1[nH]c(C(=O)Nc2nc3c(OC(C[N+](C)(C)C)c4ccccc4)cc(C(=O)O)cc3s2)c(Cl)c1Cl.[I-]
Basic Information
| ChEMBL ID | CHEMBL5417969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTDXFXCNZDOECC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5499458 |
| Active Moiety | CHEMBL5499458 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
548.5
MW (Da)
6.02
ALogP
5
HBA
3
HBD
104.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
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 | Staphylococcus aureus | 1 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | DNA gyrase subunit B | 1 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | No relevant target | 1 |
| 36634346 | 10.1021/acs.jmedchem.2c01597 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine