Compound Detail
CHEMBL5275748
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Nc1nc(-c2cccc(OCCCN3CCCC3)c2)nc2c1c(=O)oc1cc(OCCCN3CCCC3)ccc12
Basic Information
| ChEMBL ID | CHEMBL5275748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZZLXYMMLWEFMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
4.71
ALogP
9
HBA
1
HBD
107.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Bacillus cereus CHEMBL613070 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | IC50 | = | 39000.0 | nM | 4.41 | Antibacterial activity against Bacillus cereus assessed as reduction in microbia... | 33276991 |
| Unchecked | IC50 | = | 39000.0 | nM | 4.41 | Antiproliferative activity against human U87 cells assessed as reduction in cell... | 33276991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33276991 | 10.1016/j.ejmech.2020.113034 | Bacillus cereus | 1 |
| 33276991 | 10.1016/j.ejmech.2020.113034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine