Compound Detail
CHEMBL1324296
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Basic Information
| ChEMBL ID | CHEMBL1324296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDDXOGDIPZSCTM-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.64
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Kd 1 meas. best 8.52
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL6099 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL6099 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL6099 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.7333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | Kd | = | 3.0 | nM | 8.52 | Displacement of [3H]TCDD from mouse AhR | 31727470 |
| Aryl hydrocarbon receptor | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at AhR in mouse Hepa2Dluc cells | 35416668 |
| Aryl hydrocarbon receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]TCDD from mouse AhR expressed in mouse Hepa1c1c7 cells cytos... | 35416668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35416668 | 10.1021/acs.jmedchem.2c00208 | Aryl hydrocarbon receptor | 15 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 31727470 | 10.1016/j.ejmech.2019.111842 | Aryl hydrocarbon receptor | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 35416668 | 10.1021/acs.jmedchem.2c00208 | Androgen receptor | 1 |
| 35416668 | 10.1021/acs.jmedchem.2c00208 | Glucocorticoid receptor | 1 |
| 35416668 | 10.1021/acs.jmedchem.2c00208 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine