Compound Detail
CHEMBL1095458
LEPTOSPHAERIN D Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1095458 |
| Name | LEPTOSPHAERIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLVQPFGOXOWCAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.24
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microdochium nivale CHEMBL1075351 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Pyricularia oryzae CHEMBL612925 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microdochium nivale | IC50 | = | 12500.0 | nM | 4.9 | Antifungal activity against Fusarium nivale CGMCC 3.4600 after 48 hrs by Alamar ... | 20408555 |
| Pyricularia oryzae | IC50 | = | 18100.0 | nM | 4.74 | Antifungal activity against Pyricularia oryzae CGMCC 3.3283 after 48 hrs by Alam... | 20408555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20408555 | 10.1021/np1000335 | Microdochium nivale | 1 |
| 20408555 | 10.1021/np1000335 | Pyricularia oryzae | 1 |
| 20408555 | 10.1021/np1000335 | Aspergillus flavus | 1 |
Data from ChEMBL 36 via Core Engine