Compound Detail
CHEMBL1478382
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Basic Information
| ChEMBL ID | CHEMBL1478382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBBFQBPTZNVWQY-VOTSOKGWSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.7
MW (Da)
2.68
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.02
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.99 | 1023.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.18 | 5.18 | 6561.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.02 | 4.8575 | 9558.0 | 4 |
| H4 CHEMBL1075452 | EC50 | 4.71 | 4.71 | 19477.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1023.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 6561.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | EC50 | = | 9558.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Unchecked | EC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| H4 | EC50 | = | 19477.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 19497.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine