Compound Detail
CHEMBL111459
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Basic Information
| ChEMBL ID | CHEMBL111459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILTOXYWAYLMNJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
2.26
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.57 | 5.765 | 270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 270.0 | nM | 6.57 | Growth inhibition of aerobic chinese hamster ovary fibroblast UV4 cells using an... | 1507207 |
| ADMET | IC50 | = | 11000.0 | nM | 4.96 | Growth inhibition of aerobic chinese hamster ovary fibroblast AA8 cell line usin... | 1507207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507207 | 10.1021/jm00095a018 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine