Compound Detail
CHEMBL224381
PEPEROMIN C Enter ChEMBL ID:
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COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL224381 |
| Name | PEPEROMIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJYVHQGPYKVXQL-XJKSGUPXSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.68
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas.
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.37 | 4.37 | 42600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 42600.0 | nM | 4.37 | Antiviral activity against on HIV1 3b infected C8166 cells assessed as syncytial... | 17291043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16724842 | 10.1021/np0600447 | Unchecked | 6 |
| 16724842 | 10.1021/np0600447 | A549 | 3 |
| 17291043 | 10.1021/np0605236 | Human immunodeficiency virus 1 | 1 |
| 17291043 | 10.1021/np0605236 | C8166 | 1 |
| 17291043 | 10.1021/np0605236 | Unchecked | 1 |
| 16724842 | 10.1021/np0600447 | ADMET | 1 |
| 16724842 | 10.1021/np0600447 | WI-38 VA13 | 1 |
| 16724842 | 10.1021/np0600447 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine