Compound Detail
CHEMBL5186309
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Basic Information
| ChEMBL ID | CHEMBL5186309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMFMHNWLVDMGHT-INIZCTEOSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.6
MW (Da)
4.40
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.24
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL6099 | EC50 | 10.24 | 8.695 | 0.1 | 2 |
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 9.15 | 8.82 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 0.058 | nM | 10.24 | Activation of AhR in mouse NIH3T3 cells assessed as induction of XRE-dependent r... | 36459434 |
| Aryl hydrocarbon receptor | EC50 | = | 0.7 | nM | 9.15 | Activation of AhR in human HaCaT cells assessed as induction of XRE-dependent re... | 36459434 |
| Aryl hydrocarbon receptor | EC50 | = | 3.2 | nM | 8.49 | Activation of AhR in human HepG2 cells assessed as induction of XRE-dependent re... | 36459434 |
| Aryl hydrocarbon receptor | EC50 | = | 71.2 | nM | 7.15 | Activation of AhR in mouse Hepa1c1c7 cells assessed as induction of XRE-dependen... | 36459434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36459434 | 10.1021/acs.jmedchem.2c00956 | Unchecked | 28 |
| 36459434 | 10.1021/acs.jmedchem.2c00956 | Aryl hydrocarbon receptor | 9 |
| 36459434 | 10.1021/acs.jmedchem.2c00956 | Aryl hydrocarbon receptor nuclear translocator | 2 |
| 36459434 | 10.1021/acs.jmedchem.2c00956 | C3H 10T1/2 | 1 |
Data from ChEMBL 36 via Core Engine