Compound Detail
CHEMBL66862
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C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CC[N+]4(C)CCCCC4CO)cc2C3=O)CCCCC1CO
Basic Information
| ChEMBL ID | CHEMBL66862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJPCRPPFJQKEOW-UHFFFAOYSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.8
MW (Da)
3.10
ALogP
6
HBA
4
HBD
132.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory concentration against human telomerase. | 9216827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216827 | 10.1021/jm970199z | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine