Compound Detail
CHEMBL26009
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Basic Information
| ChEMBL ID | CHEMBL26009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXWHXHIUWKKMHX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
6.82
ALogP
3
HBA
4
HBD
84.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.15
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 7100.0 | nM | 5.15 | The compound was tested for cytotoxic potency against A2780R human tumor cell li... | - |
| CH1 | IC50 | = | 16000.0 | nM | 4.8 | The compound was tested for cytotoxic potency against CH1 human tumor cell lines... | - |
| SK-OV-3 | IC50 | = | 31000.0 | nM | 4.51 | The compound was tested for cytotoxic potency against SKOV-3 human tumor cell li... | - |
| A2780 | IC50 | = | 32500.0 | nM | 4.49 | The compound was tested for cytotoxic potency against A2780 human tumor cell lin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00229-1 | A2780 | 2 |
| - | 10.1016/S0960-894X(97)00229-1 | CH1 | 1 |
| - | 10.1016/S0960-894X(97)00229-1 | SK-OV-3 | 1 |
| - | 10.1016/S0960-894X(97)00229-1 | Unchecked | 1 |
| 9438029 | 10.1021/jm970570i | Rattus norvegicus | 1 |
| 9438029 | 10.1021/jm970570i | ADMET | 1 |
Data from ChEMBL 36 via Core Engine