Compound Detail
CHEMBL464223
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Basic Information
| ChEMBL ID | CHEMBL464223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVGJQQJXCJHHGO-VPCXQMTMSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
-2.15
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.6333 | 1200.0 | 6 |
| MCF7 CHEMBL387 | IC50 | 4.5 | 4.5 | 31400.0 | 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 | Antitumor activity against human SKW3 cells after 3 days by WST1 assay | 19260677 |
| NON-PROTEIN TARGET | IC50 | = | 1400.0 | nM | 5.85 | Antitumor activity against human OCI-My 2 cells after 3 days by WST1 assay | 19260677 |
| NON-PROTEIN TARGET | IC50 | = | 1900.0 | nM | 5.72 | Antitumor activity against human OCI-LY7 cells after 3 days by WST1 assay | 19260677 |
| NON-PROTEIN TARGET | IC50 | = | 2100.0 | nM | 5.68 | Antitumor activity against human OCI-AML1 cells after 3 days by WST1 assay | 19260677 |
| NON-PROTEIN TARGET | IC50 | = | 4500.0 | nM | 5.35 | Antitumor activity against human LOX cells after 3 days by WST1 assay | 19260677 |
| NON-PROTEIN TARGET | IC50 | = | 5300.0 | nM | 5.28 | Antitumor activity against human MDA468 cells after 3 days by WST1 assay | 19260677 |
| MCF7 | IC50 | = | 31400.0 | nM | 4.5 | Antitumor activity against human MCF7 cells after 3 days by WST1 assay | 19260677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260677 | 10.1021/jm801224t | NON-PROTEIN TARGET | 7 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | MCF7 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Vero | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Chikungunya virus | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Unchecked | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | RL | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | HEL 92.1.7 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | SW-620 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | MIA PaCa-2 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | MV4-11 | 1 |
| 19260677 | 10.1021/jm801224t | SNB-19 | 1 |
| 19260677 | 10.1021/jm801224t | PC-3 | 1 |
| 19260677 | 10.1021/jm801224t | T47D | 1 |
| 19260677 | 10.1021/jm801224t | ADMET | 1 |
| 19260677 | 10.1021/jm801224t | COLO 205 | 1 |
| 19260677 | 10.1021/jm801224t | OVCAR-4 | 1 |
| 19260677 | 10.1021/jm801224t | MCF7 | 1 |
| 19260677 | 10.1021/jm801224t | OCI-AML2 | 1 |
Data from ChEMBL 36 via Core Engine