Compound Detail
CHEMBL128345
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Basic Information
| ChEMBL ID | CHEMBL128345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYPTXAZOGDKBCV-NSHDSACASA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.58
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.87
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CH1 | IC50 | = | 135.0 | nM | 6.87 | In vitro cytotoxicity against. ovarian carcinoma cell line CH1cisR (cisplatin re... | 10514273 |
| CH1 | IC50 | = | 160.0 | nM | 6.8 | In vitro cytotoxicity against ovarian carcinoma cell line CH1. | 10514273 |
| A2780 | IC50 | = | 1050.0 | nM | 5.98 | In vitro cytotoxicity against. ovarian carcinoma cell line A2780. | 10514273 |
| A2780 | IC50 | = | 1650.0 | nM | 5.78 | In vitro cytotoxicity against. ovarian carcinoma cell line A2780cisR (cisplatin ... | 10514273 |
| SK-OV-3 | IC50 | = | 3300.0 | nM | 5.48 | In vitro cytotoxicity against. ovarian carcinoma cell line SKOV-3. | 10514273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514273 | 10.1021/jm981124d | Nucleic Acid | 3 |
| 10514273 | 10.1021/jm981124d | A2780 | 2 |
| 10514273 | 10.1021/jm981124d | CH1 | 2 |
| 10514273 | 10.1021/jm981124d | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine