Compound Detail
CHEMBL5570949
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Nc1nc(/C(=N/OC(C(=O)O)C2CCC(F)(F)CC2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSCCNC(=O)c4ccc(O)c(O)c4Cl)CS[C@H]23)cs1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5570949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCVFWLZQXQOJPL-PZGNNJMQSA-N |
| Parent Compound | CHEMBL6068889 |
| Active Moiety | CHEMBL6068889 |
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
805.3
MW (Da)
2.69
ALogP
14
HBA
7
HBD
254.1
PSA (Ų)
0.05
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10437.0 | ng.hr.mL-1 | Mus musculus |
| CL | 33.9 | mL.min-1.kg-1 | Mus musculus |
| MRT | 0.76 | hr | Mus musculus |
| T1/2 | 3.14 | hr | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38596897 | 10.1021/acs.jmedchem.4c00265 | Escherichia coli | 8 |
| 38596897 | 10.1021/acs.jmedchem.4c00265 | Klebsiella pneumoniae | 6 |
| 38596897 | 10.1021/acs.jmedchem.4c00265 | Acinetobacter baumannii | 5 |
| 38596897 | 10.1021/acs.jmedchem.4c00265 | ADMET | 5 |
| 38596897 | 10.1021/acs.jmedchem.4c00265 | Pseudomonas aeruginosa | 3 |
| 38596897 | 10.1021/acs.jmedchem.4c00265 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine