Compound Detail
CHEMBL1812034
LIBERTELLENONE C Enter ChEMBL ID:
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C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@@](C)(CO)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1
Basic Information
| ChEMBL ID | CHEMBL1812034 |
| Name | LIBERTELLENONE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFSWTQQLSUEQBY-FZIGORSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.18
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.53 | 4.53 | 29700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.16 | 4.16 | 68700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 29700.0 | nM | 4.53 | Antiangiogenesis activity in HUVEC assessed as inhibition of VEGF-induced cell p... | 21718054 |
| NON-PROTEIN TARGET | IC50 | = | 68700.0 | nM | 4.16 | Antiangiogenesis activity in HUAEC assessed as inhibition of VEGF-induced cell p... | 21718054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21718054 | 10.1021/np200108h | HUVEC | 1 |
| 21718054 | 10.1021/np200108h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine