Compound Detail
CHEMBL1572157
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Basic Information
| ChEMBL ID | CHEMBL1572157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMGWMIMBURTBAI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.50
ALogP
9
HBA
1
HBD
96.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.6
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.37 | 425.4 | 1 |
| BJ CHEMBL614358 | EC50 | 5.34 | 5.34 | 4580.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.09 | 5504.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.83 | 4.83 | 14639.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 250.0 | nM | 6.6 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 425.37 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| BJ | EC50 | = | 4580.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 5504.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 11967.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| HEK293 | IC50 | = | 14639.0 | nM | 4.83 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine