Compound Detail
CHEMBL1486981
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Basic Information
| ChEMBL ID | CHEMBL1486981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCGAKNVBSYIHOV-LGMDPLHJSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
3.78
ALogP
5
HBA
2
HBD
78.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.52 | 5.51 | 3039.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.28 | 5.28 | 5280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 4.9467 | 5200.0 | 3 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 3039.0 | nM | 5.52 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 3127.0 | nM | 5.5 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Phospholipase A2 | IC50 | = | 5280.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Unchecked | IC50 | = | 12500.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Cysteine protease ATG4B | IC50 | = | 16600.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Unchecked | IC50 | = | 21800.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine