Compound Detail
CHEMBL109458
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Basic Information
| ChEMBL ID | CHEMBL109458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZEMGTQCPRNXEG-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179998 |
| Active Moiety | CHEMBL1179998 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.6
MW (Da)
6.95
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dynamin-1 CHEMBL4958 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dynamin-1 | IC50 | = | 3150.0 | nM | 5.5 | Concentration required against dynamin-1 GTPase activity of sheep brain. | 15149689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149689 | 10.1016/j.bmcl.2004.03.096 | Dynamin-1 | 1 |
Data from ChEMBL 36 via Core Engine