Compound Detail
CHEMBL447153
GUTTIFERONE E Enter ChEMBL ID:
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C=C(C)[C@@H](C=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O
Basic Information
| ChEMBL ID | CHEMBL447153 |
| Name | GUTTIFERONE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PERYNTNSURMRNO-AAXMREPPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
8.52
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of tubulin microtubule disassembly | 10978200 |
| SW480 | IC50 | = | 7500.0 | nM | 5.12 | Cytotoxicity against human SW480 cells after 72 hrs by MTT assay | 15787435 |
| Radical scavenging activity | IC50 | = | 68000.0 | nM | 4.17 | Antioxidant activity assessed as DPPH radical scavenging activity | 15787435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20594858 | 10.1016/j.bmc.2010.06.014 | Unchecked | 6 |
| 20681570 | 10.1021/np100156w | Unchecked | 4 |
| 10978200 | 10.1021/np0000872 | Unchecked | 1 |
| 15787435 | 10.1021/np0497595 | Radical scavenging activity | 1 |
| 15787435 | 10.1021/np0497595 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine