Compound Detail
CHEMBL1521023
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Basic Information
| ChEMBL ID | CHEMBL1521023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXUAKKZKRHUCGS-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.95
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.17
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.17 | 6.8467 | 67.0 | 3 |
| Jurkat CHEMBL397 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.36 | 5.23 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 67.0 | nM | 7.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 161.0 | nM | 6.79 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Jurkat | IC50 | = | 190.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | EC50 | = | 263.0 | nM | 6.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Nucleic Acid | EC50 | = | 310.0 | nM | 6.51 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Unchecked | IC50 | = | 78900.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of both... | - |
Data from ChEMBL 36 via Core Engine