Compound Detail
CHEMBL373529
PHELLIGRIDIN J Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL373529 |
| Name | PHELLIGRIDIN J |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRPMTHJYSWKEDI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
1.01
ALogP
7
HBA
3
HBD
138.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Liver microsomes CHEMBL613694 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.14 | 5.09 | 7200.0 | 2 |
| HCT-8 CHEMBL613510 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human A549 cells | 17279797 |
| Liver microsomes | IC50 | = | 6500.0 | nM | 5.19 | Antioxidant activity assessed as inhibition of rat liver microsomal lipid peroxi... | 17279797 |
| ADMET | IC50 | = | 7200.0 | nM | 5.14 | Cytotoxicity against human A2708 cells | 17279797 |
| HCT-8 | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human HCT8 cells | 17279797 |
| ADMET | IC50 | = | 9200.0 | nM | 5.04 | Cytotoxicity against human Bel7402 cells | 17279797 |
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 |
Data from ChEMBL 36 via Core Engine