Compound Detail
CHEMBL457490
PENICITRINOL A Enter ChEMBL ID:
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Cc1c(O)c2c(c3c1[C@H](C)[C@@H](C)O3)Oc1cc(O)c(C)c3c1[C@H]2O[C@H](C)[C@H]3C
Basic Information
| ChEMBL ID | CHEMBL457490 |
| Name | PENICITRINOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRGUXPKRGKYBJY-ZUZBTREBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.32
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 26800.0 | nM | 4.57 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 18281952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18281952 | 10.1021/np0704708 | Radical scavenging activity | 1 |
| 21761866 | 10.1021/jm200511x | HL-60 | 1 |
| 21761866 | 10.1021/jm200511x | HCT-116 | 1 |
| 21761866 | 10.1021/jm200511x | KB | 1 |
Data from ChEMBL 36 via Core Engine