Compound Detail
CHEMBL158083
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COS(=O)(=O)[O-].Cc1cc2c3c([n+](C)c4ccc(F)cc4c3c1)-c1cc(F)ccc1N2C
Basic Information
| ChEMBL ID | CHEMBL158083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRWGYMXWYZBBGF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181174 |
| Active Moiety | CHEMBL1181174 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
5.15
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.48 | 6.48 | 330.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.48 | 6.48 | 330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of telomerase activity using TRAP assay | 11806711 |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | Inhibition of telomerase by TRAP assay | 16279778 |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | Inhibition of telomerase by TRAP assay | 18247546 |
| Telomerase reverse transcriptase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of telomerase (unknown origin) | 36669398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247546 | 10.1021/jm070587t | Unchecked | 16 |
| 16279778 | 10.1021/jm058031y | Unchecked | 2 |
| 11806711 | 10.1021/jm011015q | Telomerase reverse transcriptase | 1 |
| 11806711 | 10.1021/jm011015q | NON-PROTEIN TARGET | 1 |
| 11806711 | 10.1021/jm011015q | Unchecked | 1 |
| 16279778 | 10.1021/jm058031y | NON-PROTEIN TARGET | 1 |
| 16279778 | 10.1021/jm058031y | Liver microsomes | 1 |
| 16279778 | 10.1021/jm058031y | No relevant target | 1 |
| 16279778 | 10.1021/jm058031y | ADMET | 1 |
| 18247546 | 10.1021/jm070587t | NON-PROTEIN TARGET | 1 |
| 27624081 | 10.1016/j.bmcl.2016.09.016 | Unchecked | 1 |
| 36669398 | 10.1016/j.ejmech.2023.115121 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine