Compound Detail
CHEMBL3195241
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Basic Information
| ChEMBL ID | CHEMBL3195241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPHLIIOUWDBJDG-MZJWZYIUSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.18
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.42
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.42 | 5.41 | 384.0 | 3 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.15 | 6.15 | 709.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.83 | 5.83 | 1466.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 384.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 709.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1466.15 | nM | 5.83 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 4959.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | EC50 | = | 30954.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine