Compound Detail
CHEMBL2253146
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Basic Information
| ChEMBL ID | CHEMBL2253146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHXAZBBVQSRKJR-QNQPVOBRSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
5.06
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phomopsis obscurans CHEMBL2367277 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Plasmopara viticola CHEMBL612463 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phomopsis obscurans | IC50 | = | 4500.0 | nM | 5.35 | Antifungal activity against Phomopsis obscurans assessed as inhibition of fungal... | 18557621 |
| Plasmopara viticola | IC50 | = | 38000.0 | nM | 4.42 | Antifungal activity against Plasmopara viticola assessed as inhibition of fungal... | 18557621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18557621 | 10.1021/jf8008662 | Colletotrichum gloeosporioides | 4 |
| 18557621 | 10.1021/jf8008662 | Colletotrichum fragariae | 4 |
| 18557621 | 10.1021/jf8008662 | Colletotrichum acutatum | 4 |
| 18557621 | 10.1021/jf8008662 | Fusarium oxysporum | 2 |
| 18557621 | 10.1021/jf8008662 | Botrytis cinerea | 2 |
| 18557621 | 10.1021/jf8008662 | Plasmopara viticola | 2 |
| 18557621 | 10.1021/jf8008662 | Phomopsis obscurans | 1 |
Data from ChEMBL 36 via Core Engine