Compound Detail
CHEMBL4126336
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COC(=O)/C=C/C(C)=C/C(C)=C/[C@H]1C(CC(C)=O)=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4126336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPDRLDWBYQKWPG-GZYVUVHISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
5.32
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U2OS | IC50 | = | 22200.0 | nM | 4.65 | Cytotoxicity against human U2OS cells assessed as reduction in cell viability af... | 28398049 |
| KB 3-1 | IC50 | = | 51200.0 | nM | 4.29 | Cytotoxicity against human KB3-1 cells assessed as reduction in cell viability a... | 28398049 |
| L929 | IC50 | = | 53600.0 | nM | 4.27 | Cytotoxicity against mouse L929 cells assessed as reduction in cell viability af... | 28398049 |
Literature References
Data from ChEMBL 36 via Core Engine