Compound Detail
CHEMBL388595
GAMMA ORYZANOL Enter ChEMBL ID:
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COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O
Basic Information
| ChEMBL ID | CHEMBL388595 |
| Name | GAMMA ORYZANOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FODTZLFLDFKIQH-FSVGXZBPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
5
Known Names
Molecular Properties
602.9
MW (Da)
10.15
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 7.8 | 7.8 | 15.9 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 15.9 | nM | 7.8 | Inhibition of TPA-induced Epstein-Barr virus early antigen activation in Raji ce... | 17503850 |
| MCF7 | IC50 | = | 80000.0 | nM | 4.1 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 15679326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23031087 | 10.1021/np300250m | Unchecked | 19 |
| 17503850 | 10.1021/np068044u | Human gammaherpesvirus 4 | 5 |
| 23031087 | 10.1021/np300250m | B16-F1 | 4 |
| 21848266 | 10.1021/np100902f | NON-PROTEIN TARGET | 3 |
| 23031087 | 10.1021/np300250m | Tyrosinase | 3 |
| 17503850 | 10.1021/np068044u | Raji | 1 |
| 17503850 | 10.1021/np068044u | Unchecked | 1 |
| 15679326 | 10.1021/np049889d | MCF7 | 1 |
| 19515569 | 10.1016/j.bmc.2009.05.049 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 23031087 | 10.1021/np300250m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine