Compound Detail
CHEMBL3397662
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Basic Information
| ChEMBL ID | CHEMBL3397662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIAYHYGGYMCROQ-BQYQJAHWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
1.72
ALogP
5
HBA
2
HBD
103.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.52 | 5.52 | 3010.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Bcap37 CHEMBL613842 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA | 25554922 |
| MGC-803 | IC50 | = | 3010.0 | nM | 5.52 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 25554922 |
| NON-PROTEIN TARGET | IC50 | = | 8300.0 | nM | 5.08 | Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay | 25554922 |
| Bcap37 | IC50 | = | 10500.0 | nM | 4.98 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 25554922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25554922 | 10.1016/j.ejmech.2014.12.013 | MGC-803 | 4 |
| 25554922 | 10.1016/j.ejmech.2014.12.013 | NON-PROTEIN TARGET | 1 |
| 25554922 | 10.1016/j.ejmech.2014.12.013 | Bcap37 | 1 |
| 25554922 | 10.1016/j.ejmech.2014.12.013 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine