Compound Detail
CHEMBL188660
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COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1
Basic Information
| ChEMBL ID | CHEMBL188660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUGFHRZCOFYYNR-HJWRWDBZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
7.10
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 9.19 | 9.19 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 0.64 | nM | 9.19 | Inhibitory concentration against Human SH-SY5Y neuroblastoma cells | 15963722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15963722 | 10.1016/j.bmcl.2005.05.052 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine