Compound Detail
CHEMBL376755
PHELLIGRIDIN H Enter ChEMBL ID:
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O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(/C=C/c5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12
Basic Information
| ChEMBL ID | CHEMBL376755 |
| Name | PHELLIGRIDIN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGRXQKVGAJTEBU-DAFODLJHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
622.5
MW (Da)
5.34
ALogP
13
HBA
6
HBD
225.2
PSA (Ų)
0.11
QED
4
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver microsomes CHEMBL613694 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 84900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver microsomes | IC50 | = | 4800.0 | nM | 5.32 | Antioxidant activity assessed as inhibition of rat liver microsomal lipid peroxi... | 17279797 |
| Unchecked | IC50 | = | 84900.0 | nM | 4.07 | Inhibition of LPS-induced NF-kappaB-dependent reporter gene transcription in and... | 21531558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279797 | 10.1021/np060476h | ADMET | 2 |
| 17279797 | 10.1021/np060476h | A549 | 1 |
| 17279797 | 10.1021/np060476h | HCT-8 | 1 |
| 17279797 | 10.1021/np060476h | Liver microsomes | 1 |
| 17279797 | 10.1021/np060476h | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21531558 | 10.1016/j.bmcl.2011.04.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine