Compound Detail
CHEMBL222885
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Basic Information
| ChEMBL ID | CHEMBL222885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYFHDUKKZIHAGM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.27
ALogP
3
HBA
3
HBD
60.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.63
Kd 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 5.82 | 5.645 | 1500.0 | 2 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 1500.0 | nM | 5.82 | Binding affinity to Bcl-2 promoter quadruplex DNA by surface plasmon resonance a... | 20481493 |
| Unchecked | IC50 | = | 2350.0 | nM | 5.63 | Inhibition of telomerase by TRAP assay | 16279791 |
| Telomerase reverse transcriptase | IC50 | = | 2350.0 | nM | 5.63 | Inhibition of telomerase derived from human K562 cell extract incubated for 30 m... | 34710743 |
| Nucleic Acid | Kd | = | 3380.0 | nM | 5.47 | Binding affinity to Bcl-2 promoter duplex DNA by surface plasmon resonance assay | 20481493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20481493 | 10.1021/jm100445e | Nucleic Acid | 9 |
| 17346034 | 10.1021/jm0610088 | Unchecked | 3 |
| 16279791 | 10.1021/jm050041b | Unchecked | 2 |
| 16279791 | 10.1021/jm050041b | No relevant target | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine