Compound Detail
CHEMBL3608805
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Basic Information
| ChEMBL ID | CHEMBL3608805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJHWMGBLNIXNHU-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.41
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
| A498 CHEMBL614516 | IC50 | 4.32 | 4.32 | 48200.0 | 1 |
| Detroit 551 CHEMBL614284 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human SKOV3 cells incubated for 48 hrs by MTT assay | 26235951 |
| HeLa | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against human HeLa cells by MTT assay | 30684866 |
| NON-PROTEIN TARGET | IC50 | = | 26800.0 | nM | 4.57 | Cytotoxicity against human 2774 cells incubated for 48 hrs by MTT assay | 26235951 |
| A498 | IC50 | = | 48200.0 | nM | 4.32 | Cytotoxicity against human A498 cells incubated for 48 hrs by MTT assay | 26235951 |
| Detroit 551 | IC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human Detroit 551 cells incubated for 48 hrs by MTT assay | 26235951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26235951 | 10.1016/j.bmcl.2015.07.058 | NON-PROTEIN TARGET | 3 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | HL-60 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | A498 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | COLO 205 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | SK-OV-3 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | Detroit 551 | 1 |
| 30684866 | 10.1016/j.ejmech.2019.01.028 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine