Compound Detail
CHEMBL5085925
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O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6ccccn6)nc54)CC3)nc2N1
Basic Information
| ChEMBL ID | CHEMBL5085925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFJKKWWAIOGWNR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
2.56
ALogP
10
HBA
2
HBD
123.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Mycobacterium abscessus DNA gyrase using pBR322 DNA as substrate m... | 35300094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35300094 | 10.1021/acsmedchemlett.1c00549 | Unchecked | 2 |
| 35300094 | 10.1021/acsmedchemlett.1c00549 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine