Compound Detail
CHEMBL3347644
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Basic Information
| ChEMBL ID | CHEMBL3347644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOQFJLOLHWBWMH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
3.53
ALogP
7
HBA
5
HBD
140.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 6.42 | 5.425 | 380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 380.0 | nM | 6.42 | Inhibition of telomerase extracted from human U937 cells by TRAP assay | - |
| U-937 | IC50 | = | 380.0 | nM | 6.42 | Antiproliferative activity against human U-937 cells measured upto 72 hrs | 37776575 |
| U-937 | IC50 | = | 37000.0 | nM | 4.43 | Antiproliferative activity against human U-937 cells assessed as cell growth inh... | 37776575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37776575 | 10.1016/j.ejmech.2023.115820 | U-937 | 2 |
| - | 10.1039/C0MD00241K | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine