Compound Detail
CHEMBL2426722
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Basic Information
| ChEMBL ID | CHEMBL2426722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOAJDMIDSSIIGG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.7
MW (Da)
3.53
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.005 | 7140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against RSV | 33569941 |
| Unchecked | IC50 | = | 7140.0 | nM | 5.15 | Inhibition of CREB-KID/CBP-KIX domain interaction (unknown origin) after 20 hrs ... | 23953193 |
| Unchecked | IC50 | = | 13740.0 | nM | 4.86 | Inhibition of CREB (unknown origin)-mediated gene transcription in HEK293T cells... | 23953193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23953193 | 10.1016/j.bmcl.2013.07.053 | Unchecked | 4 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine