Compound Detail
CHEMBL3707105
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O=C(CCN1CCCCC1CCO)Nc1ccc2c(=O)c3cc(NC(=O)CCN4CCCCC4CCO)ccc3[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL3707105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCDJTQVXTSHHLI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.8
MW (Da)
3.81
ALogP
7
HBA
5
HBD
138.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of telomerase in human A2780 cells by TRAP assay | 19726112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine