Compound Detail
CHEMBL172744
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Basic Information
| ChEMBL ID | CHEMBL172744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYFQGVLLMZWPCP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.47
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.56
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW-620 | IC50 | = | 27300.0 | nM | 4.56 | Compound was evaluated for cytotoxicity against colon SW-620 cell line | - |
| HOP-92 | IC50 | = | 45300.0 | nM | 4.34 | Compound was evaluated for cytotoxicity against non small lung cancer HOP-92 cel... | - |
| SK-OV-3 | IC50 | = | 47600.0 | nM | 4.32 | Compound was evaluated for cytotoxicity against ovarian carcinoma SCOV-3 cell li... | - |
| MCF7 | IC50 | = | 49800.0 | nM | 4.3 | Compound was evaluated for cytotoxicity against breast cancer MCF-7 cell lines | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00129-1 | MOLT-4 | 1 |
| - | 10.1016/0960-894X(96)00129-1 | HOP-92 | 1 |
| - | 10.1016/0960-894X(96)00129-1 | SW-620 | 1 |
| - | 10.1016/0960-894X(96)00129-1 | SK-OV-3 | 1 |
| - | 10.1016/0960-894X(96)00129-1 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine