Compound Detail
CHEMBL508369
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O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCCNCCNCCCNCCNCCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL508369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNDDSSPRTBVFCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
752.8
MW (Da)
4.01
ALogP
12
HBA
4
HBD
209.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 19058969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058969 | 10.1016/j.bmc.2008.11.024 | HT-29 | 1 |
| 19058969 | 10.1016/j.bmc.2008.11.024 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine