Compound Detail
CHEMBL3608814
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Basic Information
| ChEMBL ID | CHEMBL3608814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWIGZWPZQNNDDF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
5.07
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human SKOV3 cells incubated for 48 hrs by MTT assay | 26235951 |
| NON-PROTEIN TARGET | IC50 | = | 16400.0 | nM | 4.79 | Cytotoxicity against human 2774 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 |
Data from ChEMBL 36 via Core Engine