Compound Detail
CHEMBL388823
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Basic Information
| ChEMBL ID | CHEMBL388823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSTAHPMLLDYWKN-ZHACJKMWSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.96
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.21 | 5.21 | 6190.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.44 | 4.44 | 36370.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.11 | 4.105 | 77830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 6190.0 | nM | 5.21 | Antiviral activity against HRV-1B infected in human HeLa cells assessed as inhib... | 20554208 |
| NON-PROTEIN TARGET | IC50 | = | 17700.0 | nM | 4.75 | Antiviral activity against MNV1 CW1 infected in mouse RAW264.7 cells assessed as... | 20554208 |
| Unchecked | IC50 | = | 36370.0 | nM | 4.44 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Protein skinhead-1 | IC50 | = | 77830.0 | nM | 4.11 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 78900.0 | nM | 4.1 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17624791 | 10.1016/j.bmc.2007.06.046 | Unchecked | 7 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | RAW264.7 | 3 |
| - | 10.1007/s00044-012-0232-6 | NON-PROTEIN TARGET | 2 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | NON-PROTEIN TARGET | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | Unchecked | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus A1B | 1 |
| 20554208 | 10.1016/j.bmc.2010.05.006 | rhinovirus B14 | 1 |
| - | 10.1007/s00044-012-0069-z | Radical scavenging activity | 1 |
| - | 10.1007/s00044-012-0232-6 | OVCAR | 1 |
| - | 10.1007/s00044-012-0232-6 | HeLa | 1 |
| - | 10.1007/s00044-012-0232-6 | AGS | 1 |
Data from ChEMBL 36 via Core Engine