Compound Detail
CHEMBL228625
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Basic Information
| ChEMBL ID | CHEMBL228625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISGWXGAFFYUDTI-JXMROGBWSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.67
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.915 | 1200.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.915 | 1200.0 | 2 |
| rhinovirus B14 CHEMBL613759 | IC50 | 5.19 | 5.19 | 6410.0 | 1 |
| rhinovirus A1B CHEMBL613713 | IC50 | 5.03 | 5.03 | 9290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Peroxynitrite scavenging activity assessed as inhibition of DHR oxidation | 17624791 |
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Antioxidant activity assessed as peroxynitrite radical scavenging activity in ab... | 18706820 |
| Unchecked | IC50 | = | 1230.0 | nM | 5.91 | Peroxynitrite scavenging activity assessed as inhibition of DHR oxidation in pre... | 17624791 |
| NON-PROTEIN TARGET | IC50 | = | 1230.0 | nM | 5.91 | Antioxidant activity assessed as peroxynitrite radical scavenging activity in pr... | 18706820 |
| rhinovirus B14 | IC50 | = | 6410.0 | nM | 5.19 | Antiviral activity against HRV-14 infected in human HeLa cells assessed as inhib... | 20554208 |
| rhinovirus A1B | IC50 | = | 9290.0 | nM | 5.03 | Antiviral activity against HRV-1B infected in human HeLa cells assessed as inhib... | 20554208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17624791 | 10.1016/j.bmc.2007.06.046 | Unchecked | 7 |
| 18706820 | 10.1016/j.bmc.2008.07.072 | NON-PROTEIN TARGET | 4 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | RAW264.7 | 4 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | NON-PROTEIN TARGET | 2 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus A1B | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine