Compound Detail
CHEMBL472997
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Basic Information
| ChEMBL ID | CHEMBL472997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQVNUENBHILZPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
4.97
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
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 |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Antitumor activity against human medulloblastoma cells | 19309080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19309080 | 10.1021/jm801420y | Sonic hedgehog protein | 1 |
| 19309080 | 10.1021/jm801420y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine