Compound Detail
CHEMBL243854
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Basic Information
| ChEMBL ID | CHEMBL243854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSFWFFXJHOUHFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
2.95
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against LoVo cells after 72 hrs by MTT assay | 17658777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658777 | 10.1021/jm070315q | NON-PROTEIN TARGET | 2 |
| 17658777 | 10.1021/jm070315q | HCT-15 | 1 |
| 17658777 | 10.1021/jm070315q | LoVo | 1 |
| 17658777 | 10.1021/jm070315q | A549 | 1 |
| 17658777 | 10.1021/jm070315q | MCF7 | 1 |
| 17658777 | 10.1021/jm070315q | Mus musculus | 1 |
| 17658777 | 10.1021/jm070315q | L1210 | 1 |
Data from ChEMBL 36 via Core Engine