Compound Detail
CHEMBL521941
PEPEROMIN E Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL521941 |
| Name | PEPEROMIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSEIBOLBSKVJFP-CQSZACIVSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.02
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| WI-38 VA13 CHEMBL612807 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.98 | 4.54 | 10500.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1210.0 | nM | 5.92 | Cytotoxicity against human WI38 cells | 16724842 |
| HL-60 | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative effect against human HL60 cells after 69 hrs | 16499324 |
| WI-38 VA13 | IC50 | = | 1930.0 | nM | 5.71 | Cytotoxicity against human VA13 cells | 16724842 |
| MCF7 | IC50 | = | 3900.0 | nM | 5.41 | Antiproliferative effect against human MCF7 cells after 72 hrs by MTT assay | 16499324 |
| A549 | IC50 | = | 10500.0 | nM | 4.98 | Antiinflammatory activity in human A549 cells assessed as inhibition of TNF-alph... | 16724842 |
| HeLa | IC50 | = | 11100.0 | nM | 4.96 | Antiproliferative effect against human HeLa cells after 69 hrs by MTT assay | 16499324 |
| HepG2 | IC50 | = | 12100.0 | nM | 4.92 | Cytotoxicity against human HepG2 cells | 16724842 |
| A549 | IC50 | = | 78900.0 | nM | 4.1 | Cytotoxicity against human A549 cells after 24 hrs by MTT assay | 16724842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19559609 | 10.1016/j.bmcl.2009.06.029 | A549 | 14 |
| 16724842 | 10.1021/np0600447 | Unchecked | 6 |
| 19559609 | 10.1016/j.bmcl.2009.06.029 | MCF7 | 3 |
| 16724842 | 10.1021/np0600447 | A549 | 2 |
| 16499324 | 10.1021/np050457s | HL-60 | 2 |
| 16499324 | 10.1021/np050457s | MCF7 | 2 |
| 16499324 | 10.1021/np050457s | HeLa | 2 |
| 19559609 | 10.1016/j.bmcl.2009.06.029 | NF-kappa-B inhibitor alpha | 2 |
| 16724842 | 10.1021/np0600447 | ADMET | 1 |
| 16724842 | 10.1021/np0600447 | WI-38 VA13 | 1 |
| 16724842 | 10.1021/np0600447 | HepG2 | 1 |
| 19559609 | 10.1016/j.bmcl.2009.06.029 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 19559609 | 10.1016/j.bmcl.2009.06.029 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine