Compound Detail
CHEMBL2089153
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COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cc(F)c(F)cc2NC(=S)C1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL2089153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRYKQKGTDQVJIF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
521.4
MW (Da)
6.12
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.58
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U2OS | IC50 | = | 2610.0 | nM | 5.58 | Antiproliferative activity against human U2OS cells expressing wild type p53 aft... | 22940704 |
| SAOS-2 | IC50 | = | 3840.0 | nM | 5.42 | Antiproliferative activity against human p53-deficient Saos2 cells after 72 hrs ... | 22940704 |
| NCI-H1299 | IC50 | = | 5730.0 | nM | 5.24 | Antiproliferative activity against human p53-deficient NCI-H1299 cells after 72 ... | 22940704 |
| A549 | IC50 | = | 11300.0 | nM | 4.95 | Antiproliferative activity against human A549 cells expressing wild type p53 aft... | 22940704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22940704 | 10.1016/j.ejmech.2012.08.003 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | SAOS-2 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | U2OS | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | A549 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine