Compound Detail
CHEMBL1520801
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Basic Information
| ChEMBL ID | CHEMBL1520801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUNDYOSMXWMGCV-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.0
MW (Da)
4.22
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.27
EC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.27 | 5.83 | 542.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.07 | 5.07 | 8441.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.01 | 5.01 | 9664.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.01 | 5.01 | 9738.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 542.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | IC50 | = | 4080.0 | nM | 5.39 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 8441.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | EC50 | = | 9664.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 9738.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Hexokinase HKDC1 | IC50 | = | 22800.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine