Compound Detail
CHEMBL23457
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Basic Information
| ChEMBL ID | CHEMBL23457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJNPVYRWQJDTBO-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
7.11
ALogP
3
HBA
4
HBD
84.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.6 | 5.4133 | 2500.0 | 3 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 68.0 | nM | 7.17 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 17517831 |
| Trypanosoma brucei brucei | IC50 | = | 121.0 | nM | 6.92 | Antitrypanosomal activity against Trypanosoma brucei brucei S427 after 72 hrs | 17517831 |
| CH1 | IC50 | = | 2100.0 | nM | 5.68 | The compound was tested for cytotoxic potency against CH1 human tumor cell lines... | - |
| A2780 | IC50 | = | 2500.0 | nM | 5.6 | The compound was tested for cytotoxic potency against A2780R human tumor cell li... | - |
| A2780 | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against A2780 ovarian carcinoma cells was evaluated using standard ... | 11128631 |
| A2780 | IC50 | = | 4800.0 | nM | 5.32 | The compound was tested for cytotoxic potency against A2780 human tumor cell lin... | - |
| SK-OV-3 | IC50 | = | 5200.0 | nM | 5.28 | The compound was tested for cytotoxic potency against SKOV-3 human tumor cell li... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11128631 | 10.1016/s0960-894x(00)00511-4 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(97)00229-1 | A2780 | 2 |
| 9438029 | 10.1021/jm970570i | Rattus norvegicus | 2 |
| 9438029 | 10.1021/jm970570i | ADMET | 2 |
| 17517831 | 10.1128/aac.00005-07 | Unchecked | 2 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei brucei | 2 |
| 11128631 | 10.1016/s0960-894x(00)00511-4 | A2780 | 1 |
| - | 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 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine