Compound Detail
CHEMBL3197396
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Basic Information
| ChEMBL ID | CHEMBL3197396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVYKERQTNGMWCH-MFOYZWKCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
3.12
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.06 | 5.4267 | 877.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.04 | 4.04 | 90960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 877.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 6368.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 9566.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Heat shock factor protein 1 | EC50 | = | 90960.0 | nM | 4.04 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine