Compound Detail
CHEMBL459393
FUCODIPHLOROETHOL G Enter ChEMBL ID:
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Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL459393 |
| Name | FUCODIPHLOROETHOL G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUSGAYNDQIKXHD-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
3.99
ALogP
12
HBA
10
HBD
220.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.83
Ki 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.83 | 4.83 | 14720.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.74 | 4.6467 | 18100.0 | 3 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| Replicase polyprotein 1ab CHEMBL5118 | Ki | 4.2 | 4.2 | 63500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 14720.0 | nM | 4.83 | Antioxidant activity assessed as DPPH radical scavenging activity | 19201199 |
| NON-PROTEIN TARGET | IC50 | = | 18100.0 | nM | 4.74 | Antioxidant activity assessed as APPH generated peroxyl radical scavenging forma... | 19201199 |
| NON-PROTEIN TARGET | IC50 | = | 18600.0 | nM | 4.73 | Antioxidant activity assessed as superoxide radical scavenging activity | 19201199 |
| Replicase polyprotein 1ab | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protea... | 23647823 |
| NON-PROTEIN TARGET | IC50 | = | 33500.0 | nM | 4.47 | Antioxidant activity assessed as Fenton system generated hydroxyl radical scaven... | 19201199 |
| Replicase polyprotein 1ab | Ki | = | 63500.0 | nM | 4.2 | Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C... | 23647823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201199 | 10.1016/j.bmc.2009.01.031 | RAW264.7 | 6 |
| 23647823 | 10.1016/j.bmc.2013.04.026 | Replicase polyprotein 1ab | 6 |
| 19201199 | 10.1016/j.bmc.2009.01.031 | NON-PROTEIN TARGET | 3 |
| 19201199 | 10.1016/j.bmc.2009.01.031 | Radical scavenging activity | 1 |
| 19201199 | 10.1016/j.bmc.2009.01.031 | MRC5 | 1 |
| 19201199 | 10.1016/j.bmc.2009.01.031 | HL-60 | 1 |
| 23647823 | 10.1016/j.bmc.2013.04.026 | Vero | 1 |
| 23647823 | 10.1016/j.bmc.2013.04.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine