Compound Detail
CHEMBL1770493
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Basic Information
| ChEMBL ID | CHEMBL1770493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIWWKKFMDSWKMF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.90
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| DNA polymerase I, thermostable CHEMBL3564 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.3 | 4.3 | 50600.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.24 | 4.24 | 57240.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.18 | 4.18 | 66400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 17300.0 | nM | 4.76 | Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER gree... | 21486698 |
| DNA polymerase I, thermostable | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of Thermus aquaticus taq polymerase | 21486698 |
| PC-3 | IC50 | = | 50600.0 | nM | 4.3 | Cytotoxicity against human PC3 after 48 hrs by MTT assay | 21486698 |
| HepG2 | IC50 | = | 57240.0 | nM | 4.24 | Cytotoxicity against human HepG2 after 48 hrs by MTT assay | 21486698 |
| SGC-7901 | IC50 | = | 66400.0 | nM | 4.18 | Cytotoxicity against human SGC7901 after 48 hrs by MTT assay | 21486698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21486698 | 10.1016/j.bmcl.2011.03.066 | SGC-7901 | 1 |
| 21486698 | 10.1016/j.bmcl.2011.03.066 | HepG2 | 1 |
| 21486698 | 10.1016/j.bmcl.2011.03.066 | PC-3 | 1 |
| 21486698 | 10.1016/j.bmcl.2011.03.066 | DNA polymerase I, thermostable | 1 |
| 21486698 | 10.1016/j.bmcl.2011.03.066 | Telomerase reverse transcriptase | 1 |
| 21486698 | 10.1016/j.bmcl.2011.03.066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine