Compound Detail
CHEMBL1689442
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CN(C)CCCN1CCN(c2cc3c4c(ccc5c6ccc7c8c(ccc(c2c45)c86)C(=O)N(CCN2CCCCC2)C7=O)C(=O)N(CCN2CCCCC2)C3=O)CC1
Basic Information
| ChEMBL ID | CHEMBL1689442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVWSKRFMTAFJLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
782.0
MW (Da)
5.97
ALogP
9
HBA
0
HBD
91.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human Telomerase activity in cell free system by TRAP assay | 21280624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21280624 | 10.1021/jm1013665 | BJ | 19 |
| 21280624 | 10.1021/jm1013665 | Nucleic Acid | 12 |
| 21280624 | 10.1021/jm1013665 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine