Compound Detail
CHEMBL1329446
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Basic Information
| ChEMBL ID | CHEMBL1329446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASNZICBNRGZMRX-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.94
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
EC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.56 | 202.0 | 2 |
| Nucleic Acid CHEMBL345 | EC50 | 5.98 | 5.98 | 1040.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.14 | 5.14 | 7270.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.03 | 5.03 | 9320.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.31 | 4.31 | 48600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 202.0 | nM | 6.7 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Nucleic Acid | EC50 | = | 1040.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Sentrin-specific protease 8 | IC50 | = | 7270.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 7220.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 9320.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 48600.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine