Compound Detail
CHEMBL2012477
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Basic Information
| ChEMBL ID | CHEMBL2012477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBWFMIWOIZJZFM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.20
ALogP
5
HBA
0
HBD
66.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.52 | 5.52 | 3010.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Bcap37 CHEMBL613842 | IC50 | 5.18 | 5.18 | 6570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of telomerase supercoiling activity in human MGC803 cells after 24 hr... | 22405648 |
| MGC-803 | IC50 | = | 3010.0 | nM | 5.52 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 22405648 |
| SGC-7901 | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay | 22405648 |
| Bcap37 | IC50 | = | 6570.0 | nM | 5.18 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 22405648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22405648 | 10.1016/j.ejmech.2012.02.040 | SGC-7901 | 1 |
| 22405648 | 10.1016/j.ejmech.2012.02.040 | MGC-803 | 1 |
| 22405648 | 10.1016/j.ejmech.2012.02.040 | Bcap37 | 1 |
| 22405648 | 10.1016/j.ejmech.2012.02.040 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine