Compound Detail
CHEMBL3410787
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 | CHEMBL3410787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGAKMSCIGJRCNO-WLRTZDKTSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.96
ALogP
5
HBA
0
HBD
84.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.51 | 5.3233 | 3100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | EC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human A2780 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human BxPC3 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 5400.0 | nM | 5.27 | Cytotoxicity against human SKOV3 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 6500.0 | nM | 5.19 | Cytotoxicity against human SU86 cells co-cultured with human mesothelial cells a... | 25581261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25581261 | 10.1021/jm501437v | NON-PROTEIN TARGET | 6 |
| 25581261 | 10.1021/jm501437v | A2780 | 5 |
| 25581261 | 10.1021/jm501437v | Mus musculus | 2 |
| 25581261 | 10.1021/jm501437v | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine