Compound Detail
CHEMBL3989916
TIGILANOL TIGLATE 🧪 Phase II
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🧪 Phase II
C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@@H]3C(C)(C)[C@]13OC(=O)[C@@H](C)CC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3989916 |
| Name | TIGILANOL TIGLATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YLQZMOUMDYVSQR-FOWZUWBHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
6
Known Names
3
Indications
1
Mechanisms
Molecular Properties
562.7
MW (Da)
1.23
ALogP
10
HBA
4
HBD
163.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Protein kinase C (PKC) activator | ACTIVATOR | Protein kinase C (PKC) | ✓ | ✓ |
Indications
Head and Neck Neoplasms Melanoma Sarcoma
Activity Summary
EC50 1 meas. best 6.9
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.92 | 7.92 | 11.9 | 1 |
| Neutrophil CHEMBL5314326 | EC50 | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 11.9 | nM | 7.92 | Cytotoxicity against PKC sensitive human K562 cells assessed as inhibition of ce... | 35973043 |
| Neutrophil | EC50 | = | 125.0 | nM | 6.9 | Induction of ROS production in human polymorphonuclear neutrophils incubated for... | 35973043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35973043 | 10.1021/acs.jnatprod.2c00226 | Neutrophil | 1 |
| 35973043 | 10.1021/acs.jnatprod.2c00226 | K562 | 1 |
Data from ChEMBL 36 via Core Engine