Compound Detail
CHEMBL517667
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Basic Information
| ChEMBL ID | CHEMBL517667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIDDWATUDMOWCU-UNZYHPAISA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
5.18
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.81
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.38 | 4.38 | 42040.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.34 | 4.34 | 45800.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 900.0 | nM | 6.05 | Inhibition of Wnt3A/beta-catenin signaling in HEK293 cells after 24 hrs by firef... | 24275249 |
| HeLa | IC50 | = | 15500.0 | nM | 4.81 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 19243951 |
| NCI-H460 | IC50 | = | 28700.0 | nM | 4.54 | Antiproliferative activity against human NCI-H460 cells assessed as cell growth ... | 32172081 |
| A549 | IC50 | = | 30500.0 | nM | 4.52 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 32172081 |
| RAW264.7 | IC50 | = | 42040.0 | nM | 4.38 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... | 19359068 |
| PC-3 | IC50 | = | 45800.0 | nM | 4.34 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 19243951 |
| HL-60 | IC50 | = | 74100.0 | nM | 4.13 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 19243951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24275249 | 10.1016/j.ejmech.2013.10.073 | Molecular identity unknown | 7 |
| 24960549 | 10.1021/jm401352a | NON-PROTEIN TARGET | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | CNE | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | PC-3 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HeLa | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | RAW264.7 | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | No relevant target | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | Radical scavenging activity | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | Tyrosinase | 1 |
| 24275249 | 10.1016/j.ejmech.2013.10.073 | U2OS | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | A549 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine