Compound Detail
CHEMBL3191171
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Basic Information
| ChEMBL ID | CHEMBL3191171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWAMLKJCMIPJPG-UFFVCSGVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.2
MW (Da)
4.63
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.95
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.95 | 4.95 | 11290.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.84 | 14543.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 11290.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | IC50 | = | 14543.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
Data from ChEMBL 36 via Core Engine