Compound Detail
CHEMBL2012472
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2012472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDWKNMUWYXGYDD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.77
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.22 | 5.22 | 5990.0 | 1 |
| Bcap37 CHEMBL613842 | IC50 | 5.17 | 5.17 | 6810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 3550.0 | nM | 5.45 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 22405648 |
| SGC-7901 | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay | 22405648 |
| Telomerase reverse transcriptase | IC50 | = | 5990.0 | nM | 5.22 | Inhibition of telomerase supercoiling activity in human MGC803 cells after 24 hr... | 22405648 |
| Bcap37 | IC50 | = | 6810.0 | nM | 5.17 | 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