Compound Detail
CHEMBL1300193
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Basic Information
| ChEMBL ID | CHEMBL1300193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYGDRLKYNYTDM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.65
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.79
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 6.79 | 6.79 | 161.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.72 | 5.535 | 1887.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 161.0 | nM | 6.79 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Zinc finger protein GLI1 | IC50 | = | 1060.0 | nM | 5.97 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | EC50 | = | 1887.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 4454.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine