Compound Detail
CHEMBL3190812
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Basic Information
| ChEMBL ID | CHEMBL3190812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLDNJAIKKISQOB-CMDGGOBGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.21
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.89 | 5.89 | 1294.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.86 | 5.86 | 1382.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 180.0 | nM | 6.75 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 1294.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1382.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 2070.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine