Compound Detail
CHEMBL4639062
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COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL4639062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEAJHYWOWIQGHC-FYBSXPHGSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
663.5
MW (Da)
5.39
ALogP
10
HBA
1
HBD
108.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9800.0 | ng.hr.mL-1 | Mus musculus |
| CL | 8.7 | mL.min-1.kg-1 | Mus musculus |
| F | 50.0 | % | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31810890 | 10.1016/j.bmc.2019.115213 | ADMET | 6 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Mycobacterium tuberculosis | 3 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31810890 | 10.1016/j.bmc.2019.115213 | Vero | 1 |
Data from ChEMBL 36 via Core Engine