Compound Detail
CHEMBL605157
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Basic Information
| ChEMBL ID | CHEMBL605157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNMMBARPDWFDFC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
5.75
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | IC50 | = | 1670.0 | nM | 5.78 | Antiviral activity against human influenza A virus A/WSN/33 (H1N1) in MDCK cells... | 20092255 |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA | 20980154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20092255 | 10.1021/jm901570x | Influenza A virus | 1 |
| 20092255 | 10.1021/jm901570x | MDCK | 1 |
| 20980154 | 10.1016/j.bmc.2010.09.063 | Nuclear factor NF-kappa-B p105 subunit | 1 |
| 20980154 | 10.1016/j.bmc.2010.09.063 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine