Compound Detail
CHEMBL471797
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Basic Information
| ChEMBL ID | CHEMBL471797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYVZEPLDLPYECM-XUTLUUPISA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
7.92
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.3
EC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | EC50 | 6.24 | 5.905 | 573.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.3 | 5.3 | 4950.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.875 | 10230.0 | 2 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | EC50 | = | 573.0 | nM | 6.24 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18667320 |
| RAW264.7 | EC50 | = | 2671.0 | nM | 5.57 | Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs... | 18667320 |
| HepG2 | IC50 | = | 4950.0 | nM | 5.3 | Antitumor activity against human HepG2 cells assessed as inhibition of cell grow... | 25160837 |
| RPMI-8226 | IC50 | = | 9400.0 | nM | 5.03 | Antiproliferative activity against human RPMI 8226 cells assessed as reduction i... | 34969245 |
| NON-PROTEIN TARGET | IC50 | = | 10230.0 | nM | 4.99 | Antitumor activity against human HL60 cells assessed as inhibition of cell growt... | 25160837 |
| NON-PROTEIN TARGET | IC50 | = | 17180.0 | nM | 4.76 | Antitumor activity against human SGC7901 cells assessed as inhibition of cell gr... | 25160837 |
| Radical scavenging activity | IC50 | = | 38000.0 | nM | 4.42 | Antioxidant activity assessed as residual DPPH radical scavenging activity after... | 21216503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18667320 | 10.1016/j.bmc.2008.07.006 | RAW264.7 | 3 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | MM1.S | 2 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | Unchecked | 2 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | Human immunodeficiency virus type 1 integrase | 1 |
| 21216503 | 10.1016/j.ejmech.2010.12.016 | Radical scavenging activity | 1 |
| 21216503 | 10.1016/j.ejmech.2010.12.016 | NON-PROTEIN TARGET | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
| 28911817 | 10.1016/j.bmcl.2017.08.047 | BV-2 | 1 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | RPMI-8226 | 1 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | B-cell | 1 |
Data from ChEMBL 36 via Core Engine