Compound Detail
CHEMBL229365
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 | CHEMBL229365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQKMJSZLUCXAHB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
250.2
MW (Da)
1.17
ALogP
6
HBA
0
HBD
77.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.75
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 18.0 | nM | 7.75 | Anticancer activity against human SKOV3 cells after 48 hrs by SRB assay | 17070967 |
| XF498 | IC50 | = | 92.0 | nM | 7.04 | Anticancer activity against human XF498 cells after 48 hrs by SRB assay | 17070967 |
| A549 | IC50 | = | 98.0 | nM | 7.01 | Anticancer activity against human A549 cells after 48 hrs by SRB assay | 17070967 |
| SK-MEL-2 | IC50 | = | 114.0 | nM | 6.94 | Anticancer activity against human SK-MEL-2 cells after 48 hrs by SRB assay | 17070967 |
| HCT-15 | IC50 | = | 123.0 | nM | 6.91 | Anticancer activity against human HCT15 cells after 48 hrs by SRB assay | 17070967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17070967 | 10.1016/j.ejmech.2006.09.007 | A549 | 1 |
| 17070967 | 10.1016/j.ejmech.2006.09.007 | SK-OV-3 | 1 |
| 17070967 | 10.1016/j.ejmech.2006.09.007 | SK-MEL-2 | 1 |
| 17070967 | 10.1016/j.ejmech.2006.09.007 | XF498 | 1 |
| 17070967 | 10.1016/j.ejmech.2006.09.007 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine