Compound Detail
CHEMBL1770487
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Basic Information
| ChEMBL ID | CHEMBL1770487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CONJYSVEBRCORZ-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.66
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcap37 CHEMBL613842 | IC50 | 5.0 | 5.0 | 9970.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.95 | 4.525 | 11270.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.485 | 26330.0 | 2 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.5 | 4.5 | 31500.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.29 | 4.29 | 51480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcap37 | IC50 | = | 9970.0 | nM | 5.0 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 26900656 |
| HepG2 | IC50 | = | 11270.0 | nM | 4.95 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 26900656 |
| NON-PROTEIN TARGET | IC50 | = | 26330.0 | nM | 4.58 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 26900656 |
| Telomerase reverse transcriptase | IC50 | = | 31500.0 | nM | 4.5 | Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER gree... | 21486698 |
| NON-PROTEIN TARGET | IC50 | = | 40580.0 | nM | 4.39 | Cytotoxicity against human PC3 cells after 48 hrs by MTT assay | 26900656 |
| SGC-7901 | IC50 | = | 51480.0 | nM | 4.29 | Cytotoxicity against human SGC7901 after 48 hrs by MTT assay | 21486698 |
| HepG2 | IC50 | = | 78870.0 | nM | 4.1 | Cytotoxicity against human HepG2 after 48 hrs by MTT assay | 21486698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26900656 | 10.1016/j.ejmech.2016.02.009 | NON-PROTEIN TARGET | 2 |
| 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 | Telomerase reverse transcriptase | 1 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | HepG2 | 1 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | Bcap37 | 1 |
Data from ChEMBL 36 via Core Engine