Compound Detail
CHEMBL1608382
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Basic Information
| ChEMBL ID | CHEMBL1608382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFBGVEBQOSOSLD-ATVHPVEESA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.01
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
EC50 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 5.3667 | 250.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.59 | 6.59 | 255.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Heat shock factor protein 1 | EC50 | = | 255.0 | nM | 6.59 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 6110.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 51800.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine