Compound Detail
CHEMBL458391
PENNICITRINONE C Enter ChEMBL ID:
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Cc1c([C@H](C)[C@H](C)O)c(O)c2oc3cc(=O)c(C)c4c-3c(c2c1O)O[C@H](C)[C@H]4C
Basic Information
| ChEMBL ID | CHEMBL458391 |
| Name | PENNICITRINONE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HESPWWKIRCFDQL-MNUQUWEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.29
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.26 | 4.26 | 55300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 55300.0 | nM | 4.26 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 18281952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18281952 | 10.1021/np0704708 | P388 | 1 |
| 18281952 | 10.1021/np0704708 | HL-60 | 1 |
| 18281952 | 10.1021/np0704708 | Bel-7402 | 1 |
| 18281952 | 10.1021/np0704708 | A549 | 1 |
| 18281952 | 10.1021/np0704708 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine