Compound Detail
CHEMBL1780028
PHELLIBAUMIN E Enter ChEMBL ID:
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CCOC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O
Basic Information
| ChEMBL ID | CHEMBL1780028 |
| Name | PHELLIBAUMIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILJIUGHJNCYQIT-PGODXZJGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
3.44
ALogP
9
HBA
5
HBD
157.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 52920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52920.0 | nM | 4.28 | Inhibition of LPS-induced NF-kappaB-dependent reporter gene transcription in and... | 21531558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21531558 | 10.1016/j.bmcl.2011.04.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine