Compound Detail
CHEMBL448245
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Basic Information
| ChEMBL ID | CHEMBL448245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIKSZRFVYVTNHL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.7
MW (Da)
2.69
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.74 | 5.74 | 1804.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.13 | 4.13 | 74718.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 1804.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 74718.0 | nM | 4.13 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for activators of the Aryl Hy... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19329331 | 10.1016/j.bmc.2009.03.013 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine