Compound Detail
CHEMBL3194013
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Basic Information
| ChEMBL ID | CHEMBL3194013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPJKZIBPOLGENY-XDHOZWIPSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.50
ALogP
6
HBA
2
HBD
73.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.27
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.27 | 5.835 | 533.0 | 2 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.17 | 6.17 | 670.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 5.87 | 5.87 | 1355.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.97 | 4.97 | 10796.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.61 | 4.61 | 24729.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 533.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 670.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Krueppel-like factor 5 | IC50 | = | 1355.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | EC50 | = | 4014.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 10796.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | IC50 | = | 24729.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
Data from ChEMBL 36 via Core Engine