Compound Detail
CHEMBL1822336
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Basic Information
| ChEMBL ID | CHEMBL1822336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNYJJHBAEYKXEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.90
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 720.0 | nM | 6.14 | Cytotoxicity against human A549 cells expressing Wnt2 after 24 to 72 hrs by MTS ... | 21855350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21855350 | 10.1016/j.bmc.2011.07.028 | A549 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21855350 | 10.1016/j.bmc.2011.07.028 | Molecular identity unknown | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine