Compound Detail
CHEMBL1403324
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Basic Information
| ChEMBL ID | CHEMBL1403324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOBFZOBFFWHUPL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.42
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.28 | 6.28 | 529.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 5.9033 | 897.0 | 3 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 4.45 | 4.45 | 35282.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 529.5 | nM | 6.28 | PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... | - |
| Unchecked | IC50 | = | 897.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | IC50 | = | 1240.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 1760.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 35282.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
Data from ChEMBL 36 via Core Engine