Compound Detail
CHEMBL3423389
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Basic Information
| ChEMBL ID | CHEMBL3423389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXOSWWNEGXBKSA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
5.00
ALogP
9
HBA
0
HBD
88.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.89 | 4.89 | 12970.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.39 | 4.39 | 40300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 12970.0 | nM | 4.89 | Cytotoxicity against human MDA-MB-231 cells after 38 hrs by MTT assay | 25965778 |
| Telomerase reverse transcriptase | IC50 | = | 40300.0 | nM | 4.39 | Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELIS... | 25965778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25965778 | 10.1016/j.ejmech.2015.04.063 | MDA-MB-231 | 1 |
| 25965778 | 10.1016/j.ejmech.2015.04.063 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine