Compound Detail
CHEMBL490294
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Basic Information
| ChEMBL ID | CHEMBL490294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSJKEODCXQKBJA-MKWAYWHRSA-N |
| Parent Compound | CHEMBL119934 |
| Active Moiety | CHEMBL119934 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
3.47
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-423 CHEMBL1075584 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 30.0 | nM | 7.52 | Induction of apoptosis in human HL60 cells by flow cytometry | 19117761 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human UCI101 cells after 48 hrs by alamar blue assay | 19117761 |
| SNU-423 | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human SNU423 cells after 48 hrs by alamar blue assay | 19117761 |
| MDA-MB-231 | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human MDA-MB-231 cells after 48 hrs by alamar blue assay | 19117761 |
| MIA PaCa-2 | IC50 | = | 40.0 | nM | 7.4 | Cytotoxicity against human MIAPaCa2 cells after 48 hrs by alamar blue assay | 19117761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19117761 | 10.1016/j.bmc.2008.12.002 | HL-60 | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | NON-PROTEIN TARGET | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | SNU-423 | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | MDA-MB-231 | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | MIA PaCa-2 | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | Unchecked | 1 |
| 19117761 | 10.1016/j.bmc.2008.12.002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine