Compound Detail
CHEMBL488197
PHELLIGRIDIN F Enter ChEMBL ID:
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COC1(CC(C)=O)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL488197 |
| Name | PHELLIGRIDIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBJFOHSVLCPQAU-MPVNRERKSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
3.89
ALogP
9
HBA
4
HBD
146.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bel-7402 CHEMBL614279 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.67 | 11400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bel-7402 | IC50 | = | 46.0 | nM | 7.34 | Cytotoxicity against human Bel7402 cells after 96 hrs by MTT assay | 15165144 |
| A549 | IC50 | = | 84.0 | nM | 7.08 | Cytotoxicity against human A549 cells after 96 hrs by MTT assay | 15165144 |
| MCF7 | IC50 | = | 85.0 | nM | 7.07 | Cytotoxicity against human MCF7 cells after 96 hrs by MTT assay | 15165144 |
| BGC-823 | IC50 | = | 92.0 | nM | 7.04 | Cytotoxicity against human BGC823 cells after 96 hrs by MTT assay | 15165144 |
| NON-PROTEIN TARGET | IC50 | = | 11400.0 | nM | 4.94 | Antioxidant activity assessed as ABTS radical scavenging activity after 12 hrs b... | 16499338 |
| NON-PROTEIN TARGET | IC50 | = | 40000.0 | nM | 4.4 | Antioxidant activity assessed as superoxide radical anion scavenging activity af... | 16499338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16499338 | 10.1021/np050453n | NON-PROTEIN TARGET | 2 |
| 15165144 | 10.1021/np030505d | A549 | 1 |
| 15165144 | 10.1021/np030505d | BGC-823 | 1 |
| 15165144 | 10.1021/np030505d | MCF7 | 1 |
| 15165144 | 10.1021/np030505d | Bel-7402 | 1 |
| 15165144 | 10.1021/np030505d | KETR3 | 1 |
| 15165144 | 10.1021/np030505d | HCT-8 | 1 |
| 16499338 | 10.1021/np050453n | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine