Compound Detail
CHEMBL3774960
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Basic Information
| ChEMBL ID | CHEMBL3774960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUBJEDZHBUPBKL-CYBMUJFWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
426.1
MW (Da)
4.24
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Actin nucleation-promoting factor WASL CHEMBL3774296 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
| Dynamin-1 CHEMBL4958 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of clathrin-mediated endocytosis in serum-starved human U2OS cells as... | 36577213 |
| Actin nucleation-promoting factor WASL | IC50 | = | 3440.0 | nM | 5.46 | Inhibition of full-length rat N-WASP-induced Arp2/3 activation by fluorescence a... | 26896705 |
| Dynamin-1 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) ... | 36577213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 26896705 | 10.1016/j.ejmech.2016.02.022 | Actin nucleation-promoting factor WASL | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36577213 | 10.1016/j.ejmech.2022.115001 | Dynamin-1 | 1 |
| 36577213 | 10.1016/j.ejmech.2022.115001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine