Compound Detail
CHEMBL3608818
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Basic Information
| ChEMBL ID | CHEMBL3608818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNJMGNZYSVDINW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.59
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.37 | 1200.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| A498 CHEMBL614516 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 4.58 | 4.58 | 26500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against human Hep3B cells incubated for 48 hrs by MTT assay | 26235951 |
| HL-60 | IC50 | = | 3900.0 | nM | 5.41 | Cytotoxicity against human HL60 cells incubated for 48 hrs by MTT assay | 26235951 |
| A498 | IC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human A498 cells incubated for 48 hrs by MTT assay | 26235951 |
| NON-PROTEIN TARGET | IC50 | = | 15100.0 | nM | 4.82 | Cytotoxicity against human H460 cells incubated for 48 hrs by MTT assay | 26235951 |
| COLO 205 | IC50 | = | 26500.0 | nM | 4.58 | Cytotoxicity against human COLO205 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