Compound Detail
CHEMBL444720
GUTTIFERONE H Enter ChEMBL ID:
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C=C(C)C1CCC2C(CC=C(C)C)C(C)(C)C3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)C2(CC1(C)C)C3=O
Basic Information
| ChEMBL ID | CHEMBL444720 |
| Name | GUTTIFERONE H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIOQLCJBRQEPIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
8.60
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW480 | IC50 | = | 12400.0 | nM | 4.91 | Cytotoxicity against human SW480 cells after 72 hrs by MTT assay | 15787435 |
| Radical scavenging activity | IC50 | = | 64000.0 | nM | 4.19 | Antioxidant activity assessed as DPPH radical scavenging activity | 15787435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15787435 | 10.1021/np0497595 | SW480 | 7 |
| 15787435 | 10.1021/np0497595 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine