Compound Detail
CHEMBL3191258
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Basic Information
| ChEMBL ID | CHEMBL3191258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UONIRHZLGOAOSO-JBOZTJCHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.48
ALogP
4
HBA
2
HBD
65.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.08
IC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 4.08 | 4.08 | 83661.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 83661.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine