Compound Detail
CHEMBL3423388
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(OC)c2c(=O)c(OCCCN3CCN(C)CC3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
Basic Information
| ChEMBL ID | CHEMBL3423388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQPXSFUAMUNPN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.52
ALogP
10
HBA
0
HBD
92.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.71 | 4.71 | 19660.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.52 | 4.52 | 30090.0 | 1 |
| Bcap37 CHEMBL613842 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 19660.0 | nM | 4.71 | Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELIS... | 25965778 |
| MDA-MB-231 | IC50 | = | 30090.0 | nM | 4.52 | Cytotoxicity against human MDA-MB-231 cells after 38 hrs by MTT assay | 25965778 |
| Bcap37 | IC50 | = | 38000.0 | nM | 4.42 | Cytotoxicity against human Bcap37 cells after 38 hrs by MTT assay | 25965778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25965778 | 10.1016/j.ejmech.2015.04.063 | MDA-MB-231 | 1 |
| 25965778 | 10.1016/j.ejmech.2015.04.063 | Bcap37 | 1 |
| 25965778 | 10.1016/j.ejmech.2015.04.063 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine