Compound Detail
CHEMBL442991
GUTTIFERONE B Enter ChEMBL ID:
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CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL442991 |
| Name | GUTTIFERONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGBLTDAGYQWRIK-XKLZQMNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
670.9
MW (Da)
10.79
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of tubulin assembly | 16724839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16724839 | 10.1021/np050543s | Unchecked | 2 |
| 20058933 | 10.1021/np9004147 | ADMET | 2 |
| 20058933 | 10.1021/np9004147 | HT-29 | 1 |
| 20058933 | 10.1021/np9004147 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine