Compound Detail
CHEMBL1468323
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Basic Information
| ChEMBL ID | CHEMBL1468323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJGPEMVLUHQHIV-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.45
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.71
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.71 | 6.57 | 197.0 | 4 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.42 | 6.42 | 376.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.16 | 6.16 | 695.3 | 1 |
| Mas-related G-protein coupled receptor member X4 CHEMBL4523430 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 197.0 | nM | 6.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 212.0 | nM | 6.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 233.0 | nM | 6.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Heat shock factor protein 1 | EC50 | = | 376.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 538.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Krueppel-like factor 5 | IC50 | = | 695.27 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30783504 | 10.1021/acsmedchemlett.8b00551 | Luciferin 4-monooxygenase | 3 |
Data from ChEMBL 36 via Core Engine