Compound Detail
CHEMBL1521348
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Basic Information
| ChEMBL ID | CHEMBL1521348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNMJRAUNFFYVKN-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
265.7
MW (Da)
1.94
ALogP
6
HBA
2
HBD
86.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.3
IC50 2 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.3 | 5.875 | 498.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.84 | 5.84 | 1451.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.65 | 5.65 | 2253.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.58 | 5.58 | 2656.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 498.0 | nM | 6.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | IC50 | = | 1451.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | EC50 | = | 2253.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2656.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| BJ | EC50 | = | 3567.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
Data from ChEMBL 36 via Core Engine