Compound Detail
CHEMBL504363
FORSYTHIASIDE Enter ChEMBL ID:
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL504363 |
| Name | FORSYTHIASIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTOUWTJYUCZJQD-UJERWXFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
624.6
MW (Da)
-1.02
ALogP
15
HBA
9
HBD
245.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human recombinant PKCalpha | 9834166 |
| Radical scavenging activity | IC50 | = | 21000.0 | nM | 4.68 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 16124783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28218000 | 10.1021/acs.jnatprod.6b01141 | Neutrophil | 4 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Cryptococcus neoformans | 3 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Erythrocyte | 2 |
| 9834166 | 10.1021/np980147s | Protein kinase C alpha type | 1 |
| 16124783 | 10.1021/np0501233 | Radical scavenging activity | 1 |
| 26422318 | 10.1021/acs.jnatprod.5b00372 | PC-12 | 1 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Candida parapsilosis | 1 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine