Compound Detail
CHEMBL3581012
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C#CCOCCCCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL3581012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKUHMWWBDBCXEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
5.33
ALogP
6
HBA
2
HBD
82.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6630.0 | nM | 5.18 | Inhibition of Escherichia coli DNA topoisomerase-1 using supercoiled pBAD-GFPuv ... | 25083189 |
Literature References
Data from ChEMBL 36 via Core Engine