Compound Detail
CHEMBL2376047
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CN(C)CCCNCCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc(NCCCN(C)C)c3ccccc3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2376047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROPXWCQJTZHRDR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
596.8
MW (Da)
4.78
ALogP
8
HBA
4
HBD
114.5
PSA (Ų)
0.14
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Kd 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.96 | 5.96 | 1110.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1110.0 | nM | 5.96 | Binding affinity to human biotinylated telomeric G-quadruplex 5'-d(GGG[TTAGGG]3)... | 23454529 |
| Telomerase reverse transcriptase | IC50 | = | 30900.0 | nM | 4.51 | Inhibition of telomerase in human HL60 cell extract by TRAP-LIG assay | 23454529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454529 | 10.1016/j.ejmech.2013.01.051 | Unchecked | 5 |
| 23454529 | 10.1016/j.ejmech.2013.01.051 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine