Compound Detail
CHEMBL459201
ISODERRONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL459201 |
| Name | ISODERRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZOGIPODZHBTGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13130.0 | nM | 4.88 | Inhibition of Escherichia coli beta-glucuronidase assessed as inhibition of p-ni... | 21619045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619045 | 10.1021/np100896w | Enoyl-acyl-carrier protein reductase | 2 |
| 21619045 | 10.1021/np100896w | Unchecked | 2 |
| 11908991 | 10.1021/np0103867 | Cladosporium cucumerinum | 1 |
Data from ChEMBL 36 via Core Engine