Compound Detail
CHEMBL353282
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Basic Information
| ChEMBL ID | CHEMBL353282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEULXLJTFYZETN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.52
ALogP
6
HBA
1
HBD
66.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 430.0 | nM | 6.37 | Compound was evaluated for cytotoxicity against A2780 cell lines. | - |
| A2780 | IC50 | = | 480.0 | nM | 6.32 | Compound was evaluated for cytotoxicity against A2780 cis cell lines. | - |
| A2780 | IC50 | = | 1000.0 | nM | 6.0 | Relative resistance factor in A2780 cisplatin-resistant line | - |
| SK-OV-3 | IC50 | = | 1650.0 | nM | 5.78 | Compound was evaluated for cytotoxicity against SCOV-3 cell lines. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00130-8 | A2780 | 3 |
| - | 10.1016/0960-894X(96)00130-8 | ADMET | 2 |
| - | 10.1016/0960-894X(96)00130-8 | MOLT-4 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | WEHI | 1 |
| - | 10.1016/0960-894X(96)00130-8 | HOP-92 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | SK-OV-3 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | MCF7 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | SW-620 | 1 |
| - | 10.1016/0960-894X(96)00130-8 | MAC15A | 1 |
Data from ChEMBL 36 via Core Engine