Compound Detail
CHEMBL3115509
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
Basic Information
| ChEMBL ID | CHEMBL3115509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYDQRTAHHKBFID-OAQYLSRUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
6.02
ALogP
5
HBA
0
HBD
62.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.5 | 5.5 | 3140.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.36 | 5.36 | 4420.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.3 | 5.3 | 5010.0 | 1 |
| Bcap37 CHEMBL613842 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-... | 24119869 |
| MGC-803 | IC50 | = | 3140.0 | nM | 5.5 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 24119869 |
| NON-PROTEIN TARGET | IC50 | = | 4420.0 | nM | 5.36 | Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay | 24119869 |
| HepG2 | IC50 | = | 5010.0 | nM | 5.3 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 24119869 |
| Bcap37 | IC50 | = | 9730.0 | nM | 5.01 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 24119869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24119869 | 10.1016/j.ejmech.2013.06.014 | DNA polymerase I, thermostable | 1 |
| 24119869 | 10.1016/j.ejmech.2013.06.014 | Telomerase reverse transcriptase | 1 |
| 24119869 | 10.1016/j.ejmech.2013.06.014 | HepG2 | 1 |
| 24119869 | 10.1016/j.ejmech.2013.06.014 | Bcap37 | 1 |
| 24119869 | 10.1016/j.ejmech.2013.06.014 | MGC-803 | 1 |
| 24119869 | 10.1016/j.ejmech.2013.06.014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine