Compound Detail
CHEMBL3098635
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Basic Information
| ChEMBL ID | CHEMBL3098635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTJIGBDAHWPFFO-DJKKODMXSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.51
ALogP
7
HBA
1
HBD
93.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.84 | 14454.4 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.8 | 4.8 | 16010.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.67 | 4.645 | 21520.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14454.4 | nM | 4.84 | Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA as... | 24286761 |
| Unchecked | IC50 | = | 14550.0 | nM | 4.84 | Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA as... | 24286761 |
| HepG2 | IC50 | = | 16010.0 | nM | 4.8 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 24286761 |
| NON-PROTEIN TARGET | IC50 | = | 21520.0 | nM | 4.67 | Cytotoxicity against human SW1116 cells after 48 hrs by MTT assay | 24286761 |
| MCF7 | IC50 | = | 21800.0 | nM | 4.66 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 24286761 |
| NON-PROTEIN TARGET | IC50 | = | 24030.0 | nM | 4.62 | Cytotoxicity against human BGC823 cells after 48 hrs by MTT assay | 24286761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24286761 | 10.1016/j.bmc.2013.11.004 | Unchecked | 2 |
| 24286761 | 10.1016/j.bmc.2013.11.004 | NON-PROTEIN TARGET | 2 |
| 24286761 | 10.1016/j.bmc.2013.11.004 | NIH3T3 | 1 |
| 24286761 | 10.1016/j.bmc.2013.11.004 | MCF7 | 1 |
| 24286761 | 10.1016/j.bmc.2013.11.004 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine