Compound Detail
CHEMBL1230670
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Basic Information
| ChEMBL ID | CHEMBL1230670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPDSHTNEKLQQIJ-UINYOVNOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.86
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phomopsis obscurans CHEMBL2367277 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Plasmopara viticola CHEMBL612463 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phomopsis obscurans | IC50 | = | 10000.0 | nM | 5.0 | Antifungal activity against Phomopsis obscurans assessed as inhibition of fungal... | 18557621 |
| Plasmopara viticola | IC50 | = | 100000.0 | nM | 4.0 | Antifungal activity against Plasmopara viticola assessed as inhibition of fungal... | 18557621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18557621 | 10.1021/jf8008662 | Colletotrichum gloeosporioides | 6 |
| 18557621 | 10.1021/jf8008662 | Colletotrichum fragariae | 6 |
| 18557621 | 10.1021/jf8008662 | Colletotrichum acutatum | 6 |
| 18557621 | 10.1021/jf8008662 | Fusarium oxysporum | 3 |
| 18557621 | 10.1021/jf8008662 | Plasmopara viticola | 3 |
| 18557621 | 10.1021/jf8008662 | Botrytis cinerea | 2 |
| 18557621 | 10.1021/jf8008662 | Phomopsis obscurans | 2 |
| 38917049 | 10.1021/acs.jmedchem.3c02164 | Probable G-protein coupled receptor 132 | 1 |
Data from ChEMBL 36 via Core Engine