Compound Detail
CHEMBL4202508
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Basic Information
| ChEMBL ID | CHEMBL4202508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSHMZZQNOKGRO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.12
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotiana tabacum CHEMBL613059 | IC50 | 7.0 | 6.57 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotiana tabacum | IC50 | = | 100.0 | nM | 7.0 | Anticytokinin activity against Nicotiana tabacum | 29273417 |
| Nicotiana tabacum | IC50 | = | 730.0 | nM | 6.14 | Toxicity in Nicotiana tabacum | 29273417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29273417 | 10.1016/j.bmc.2017.10.012 | Nicotiana tabacum | 2 |
Data from ChEMBL 36 via Core Engine