Compound Detail
CHEMBL3195965
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Basic Information
| ChEMBL ID | CHEMBL3195965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIKNNCHRZJGBJL-DHRITJCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
4.72
ALogP
7
HBA
2
HBD
106.5
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.82 | 5.82 | 1504.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7020.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 1504.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| Unchecked | IC50 | = | 7020.0 | nM | 5.15 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Envelope glycoprotein gp160 | IC50 | = | 19300.0 | nM | 4.71 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine