Compound Detail
CHEMBL569410
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Basic Information
| ChEMBL ID | CHEMBL569410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNOAOFIHRVSHJT-VIZOYTHASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.95
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
IC50 1 meas. best 6.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human Flag-tagged LEDGF interaction to His6-tagged HIV1 integrase ... | 23306052 |
| HCT-116 | EC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against human HCT116 p53 +/+ and -/- cells after 72 hrs by MTT assa... | 23306052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20598893 | 10.1016/j.bmc.2010.06.002 | Mus musculus | 10 |
| 19765866 | 10.1016/j.ejmech.2009.08.009 | J774 | 3 |
| 20488590 | 10.1016/j.ejmech.2010.04.025 | Mycobacterium tuberculosis | 2 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Human immunodeficiency virus type 1 integrase | 2 |
| 20488590 | 10.1016/j.ejmech.2010.04.025 | Vero | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Human immunodeficiency virus 1 | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | HCT-116 | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine