Compound Detail
CHEMBL1606309
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Basic Information
| ChEMBL ID | CHEMBL1606309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPQYLKRCHOLHEI-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.71
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.56
EC50 1 meas. best 5.58
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2660.0 | nM | 5.58 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 2750.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| HEK293 | IC50 | = | 4588.5 | nM | 5.34 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| HEK293 | IC50 | = | 5813.0 | nM | 5.24 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 13559.9 | nM | 4.87 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
| Unchecked | IC50 | = | 33400.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 77400.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine