Compound Detail
CHEMBL139687
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O=C(CCN1CCCC1)Nc1ccc2c(NCc3cccnc3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Basic Information
| ChEMBL ID | CHEMBL139687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMYGHFCQYSJDJS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
5.24
ALogP
7
HBA
3
HBD
102.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | EC50 | = | 660.0 | nM | 6.18 | Inhibitory activity against human telomerase | 14521409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521409 | 10.1021/jm0308693 | NON-PROTEIN TARGET | 2 |
| 14521409 | 10.1021/jm0308693 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine