Compound Detail
CHEMBL3220312
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Cc1c(Cl)ccc2c(/C=C3\NC(=O)N(C(C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12
Basic Information
| ChEMBL ID | CHEMBL3220312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFYQBPVMECJUBO-GXHLCREISA-N |
13
Targets
19
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
518.9
MW (Da)
2.51
ALogP
5
HBA
5
HBD
134.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Mdm4 CHEMBL1255126 | IC50 | 7.77 | 7.6475 | 17.0 | 4 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.77 | 7.7475 | 17.0 | 4 |
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 7.76 | 7.76 | 17.3 | 1 |
| Tumour suppressor protein p53/Mdm4 CHEMBL2221344 | IC50 | 7.61 | 7.61 | 24.7 | 1 |
| LNCaP CHEMBL612518 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| LAPC4 CHEMBL613292 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| LNCaP C4-2 CHEMBL4296460 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| RKO CHEMBL614879 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.34 | 4.34 | 45300.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.34 | 4.34 | 45500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine