Compound Detail
CHEMBL478501
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Basic Information
| ChEMBL ID | CHEMBL478501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VARRERAPEJSWEL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
4.87
ALogP
9
HBA
0
HBD
82.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 5.92 | 635.0 | 3 |
| Rhizoctonia solani CHEMBL613272 | EC50 | 4.55 | 4.55 | 28183.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 635.0 | nM | 6.2 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | IC50 | = | 1050.0 | nM | 5.98 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 2630.0 | nM | 5.58 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Rhizoctonia solani | EC50 | = | 28183.83 | nM | 4.55 | Antifungal activity against Rhizoctonia solani assessed as inhibition of mycelia... | 17618711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618711 | 10.1016/j.ejmech.2007.04.021 | Rhizoctonia solani | 2 |
Data from ChEMBL 36 via Core Engine