Compound Detail
CHEMBL1390450
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Basic Information
| ChEMBL ID | CHEMBL1390450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOYXMRWLLJEHAV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.48
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.78 | 6.78 | 165.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 5.94 | 5.94 | 1157.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.9 | 4.9 | 12700.0 | 2 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL4109 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 165.0 | nM | 6.78 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
| Krueppel-like factor 5 | IC50 | = | 1157.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 77000.0 | nM | 4.11 | Cell-Based Assay: The assay involves using a cell line that expresses the NR1 su... | - |
Data from ChEMBL 36 via Core Engine