Compound Detail
CHEMBL600669
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 | CHEMBL600669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRDWEKCFJBQNQW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.43
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.01 | 5.01 | 9660.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.67 | 4.67 | 21610.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.63 | 4.63 | 23370.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 31480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 9660.0 | nM | 5.01 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 20170164 |
| HL-60 | IC50 | = | 21610.0 | nM | 4.67 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 20170164 |
| HeLa | IC50 | = | 23370.0 | nM | 4.63 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 20170164 |
| NON-PROTEIN TARGET | IC50 | = | 31480.0 | nM | 4.5 | Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay | 20170164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20170164 | 10.1021/jm100025u | HeLa | 2 |
| 20170164 | 10.1021/jm100025u | HL-60 | 1 |
| 20170164 | 10.1021/jm100025u | MCF7 | 1 |
| 20170164 | 10.1021/jm100025u | NON-PROTEIN TARGET | 1 |
| 20170164 | 10.1021/jm100025u | MKN-45 | 1 |
Data from ChEMBL 36 via Core Engine