Compound Detail
CHEMBL4097807
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Basic Information
| ChEMBL ID | CHEMBL4097807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTOXGIYRUMZGEV-PIRNEEEYSA-N |
| Parent Compound | CHEMBL4067953 |
| Active Moiety | CHEMBL4067953 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
506.2
MW (Da)
3.62
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.8 | 5.8 | 1580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of telomerase activity in human MDA-MB-435 cell lysate measured after... | 27657809 |
| Telomerase reverse transcriptase | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of telomerase activity in human U2OS cell lysate measured after 24 hr... | 27657809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27657809 | 10.1016/j.ejmech.2016.09.028 | No relevant target | 6 |
| 27657809 | 10.1016/j.ejmech.2016.09.028 | Telomerase reverse transcriptase | 5 |
| 27657809 | 10.1016/j.ejmech.2016.09.028 | MDA-MB-435 | 5 |
| 27657809 | 10.1016/j.ejmech.2016.09.028 | U2OS | 3 |
| 27657809 | 10.1016/j.ejmech.2016.09.028 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine