Compound Detail
CHEMBL3358560
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 | CHEMBL3358560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHPLRICKBBBHJO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
2.79
ALogP
9
HBA
0
HBD
135.8
PSA (Ų)
0.20
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against HUVEC after 48 hrs by MTT assay | 25350923 |
| HeLa | IC50 | = | 320.0 | nM | 6.5 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 25350923 |
| A549 | IC50 | = | 650.0 | nM | 6.19 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 25350923 |
| A2780 | IC50 | = | 660.0 | nM | 6.18 | Antiproliferative activity against human A2780 cells after 48 hrs by MTT assay | 25350923 |
| NON-PROTEIN TARGET | IC50 | = | 990.0 | nM | 6.0 | Antiproliferative activity against human A2780/CDDP cells after 48 hrs by MTT as... | 25350923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25350923 | 10.1021/jm500613m | A549 | 1 |
| 25350923 | 10.1021/jm500613m | HeLa | 1 |
| 25350923 | 10.1021/jm500613m | A2780 | 1 |
| 25350923 | 10.1021/jm500613m | NON-PROTEIN TARGET | 1 |
| 25350923 | 10.1021/jm500613m | HUVEC | 1 |
| 25350923 | 10.1021/jm500613m | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine