Compound Detail
CHEMBL3410799
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Basic Information
| ChEMBL ID | CHEMBL3410799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMOBALFPDKFXBO-NTUHNPAUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.62
ALogP
5
HBA
1
HBD
96.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.47 | 5.2867 | 3400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | EC50 | = | 2600.0 | nM | 5.58 | Cytotoxicity against human A2780 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human BxPC3 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 6100.0 | nM | 5.21 | Cytotoxicity against human SKOV3 cells co-cultured with human mesothelial cells ... | 25581261 |
| NON-PROTEIN TARGET | EC50 | = | 6600.0 | nM | 5.18 | 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