Compound Detail
CHEMBL487183
PELOROL Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)c1cc(O)c(O)c2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL487183 |
| Name | PELOROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFBLMLRQAKGTJN-VQDLLJBESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.94
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhizoctonia solani CHEMBL613272 | EC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Sclerotinia sclerotiorum CHEMBL613280 | EC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhizoctonia solani | EC50 | = | 7700.0 | nM | 5.11 | Antifungal activity against Rhizoctonia solani | 38557062 |
| Sclerotinia sclerotiorum | EC50 | = | 49000.0 | nM | 4.31 | Antifungal activity against Sclerotinia sclerotiorum | 38557062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978215 | 10.1021/np990502u | Plasmodium falciparum | 2 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Sclerotinia sclerotiorum | 2 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Rhizoctonia solani | 2 |
| 10978215 | 10.1021/np990502u | Trypanosoma brucei rhodesiense | 1 |
| 10978216 | 10.1021/np000079l | Artemia | 1 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Botrytis cinerea | 1 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Fusarium graminearum | 1 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Phytophthora capsici | 1 |
Data from ChEMBL 36 via Core Engine