Compound Detail
CHEMBL466369
HORMOTHAMNIONE DIACETATE Enter ChEMBL ID:
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COc1c(OC)c(O)c2c(=O)c(C)c(/C=C/c3cc(OC(C)=O)cc(OC(C)=O)c3)oc2c1OC
Basic Information
| ChEMBL ID | CHEMBL466369 |
| Name | HORMOTHAMNIONE DIACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDNKUKQCGIZSCU-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
3.85
ALogP
10
HBA
1
HBD
130.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 18300.0 | nM | 4.74 | Antioxidant activity against TPA-induced ROS production in human HL60 cells by 2... | 12762791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12762791 | 10.1021/np0204038 | HL-60 | 1 |
| 12762791 | 10.1021/np0204038 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine