Compound Detail
CHEMBL236399
PHELLIGRIDIN E Enter ChEMBL ID:
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CC1=CC(=O)C2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12
Basic Information
| ChEMBL ID | CHEMBL236399 |
| Name | PHELLIGRIDIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMSAIYCKECUGHO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
2.97
ALogP
10
HBA
4
HBD
167.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.26
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bel-7402 | IC50 | = | 55.0 | nM | 7.26 | Cytotoxicity against human Bel7402 cells after 96 hrs by MTT assay | 15165144 |
| MCF7 | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human MCF7 cells after 96 hrs by MTT assay | 15165144 |
| A549 | IC50 | = | 79.0 | nM | 7.1 | Cytotoxicity against human A549 cells after 96 hrs by MTT assay | 15165144 |
| BGC-823 | IC50 | = | 96.0 | nM | 7.02 | Cytotoxicity against human BGC823 cells after 96 hrs by MTT assay | 15165144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17980585 | 10.1016/j.bmcl.2007.10.072 | Unchecked | 2 |
| 17980585 | 10.1016/j.bmcl.2007.10.072 | NON-PROTEIN TARGET | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine