Compound Detail
CHEMBL1466500
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Basic Information
| ChEMBL ID | CHEMBL1466500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQUQMAJNMRIGRM-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
2.33
ALogP
6
HBA
2
HBD
86.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.16
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 6.22 | 597.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.16 | 6.16 | 694.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.08 | 5.51 | 839.0 | 4 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.72 | 5.72 | 1924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 597.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Unchecked | EC50 | = | 694.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 839.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 1800.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1924.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| BJ | EC50 | = | 5730.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 10765.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine