Compound Detail
CHEMBL3197177
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Basic Information
| ChEMBL ID | CHEMBL3197177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJIKLALXAPYTCW-BUVRLJJBSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.38
ALogP
8
HBA
3
HBD
103.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.61
EC50 2 meas. best 7.75
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 18.0 | nM | 7.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Unchecked | IC50 | = | 244.39 | nM | 6.61 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | EC50 | = | 536.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | IC50 | = | 28500.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of B-ce... | - |
| Unchecked | IC50 | = | 37700.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 53000.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine