Compound Detail
CHEMBL1165777
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1165777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWVNYWQNPQXEPO-KRWDZBQOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.22
ALogP
5
HBA
0
HBD
64.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.27
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 0.54 | nM | 9.27 | Cytotoxicity against human NCI-H460 cells after 24 hrs under hypoxic condition b... | 29079474 |
| NCI-H460 | IC50 | = | 0.77 | nM | 9.11 | Cytotoxicity against human NCI-H460 cells after 24 hrs under normoxic condition ... | 29079474 |
| K562 | IC50 | = | 1.4 | nM | 8.85 | Cytotoxicity against human K562 cells after 96 hrs by alamar blue assay | 20218628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20218628 | 10.1021/jm901722v | NON-PROTEIN TARGET | 3 |
| 20218628 | 10.1021/jm901722v | Calf thymus DNA | 2 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | NCI-H460 | 2 |
| 20218628 | 10.1021/jm901722v | K562 | 1 |
| 20218628 | 10.1021/jm901722v | HCT-116 | 1 |
| 20218628 | 10.1021/jm901722v | Mus musculus | 1 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | No relevant target | 1 |
| 29079474 | 10.1016/j.bmcl.2017.10.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine