Compound Detail
CHEMBL79335
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Basic Information
| ChEMBL ID | CHEMBL79335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHCPLNBCYFXVSL-PUHATCMVSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.08
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.75
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.36
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.96 | 8.67 | 1.1 | 2 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.36 | 7.475 | 4.4 | 2 |
| Mus musculus CHEMBL375 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.1 | nM | 8.96 | Compound was tested for inhibitory activity towards human glucocorticoid recepto... | 15115388 |
| Glucocorticoid receptor | IC50 | = | 4.2 | nM | 8.38 | Binding affinity for human glucocorticoid receptor | 15115388 |
| Glucocorticoid receptor | EC50 | = | 4.4 | nM | 8.36 | Ability to induce human IL-6 assay in A549 lung carcinoma cell line. | 15115388 |
| Mus musculus | EC50 | = | 5.7 | nM | 8.24 | Ability to induce mouse macrophage IL-6 assay in peritoneal exudate cells harves... | 15115388 |
| Glucocorticoid receptor | EC50 | = | 255.7 | nM | 6.59 | Glucocorticoid induced transactivation of human tyrosine amino transferase in He... | 15115388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115388 | 10.1021/jm030585i | Glucocorticoid receptor | 4 |
| 15115388 | 10.1021/jm030585i | Glutamine synthetase | 1 |
| 15115388 | 10.1021/jm030585i | Mus musculus | 1 |
| 15115388 | 10.1021/jm030585i | Progesterone receptor | 1 |
| 15115388 | 10.1021/jm030585i | Mineralocorticoid receptor | 1 |
| 15115388 | 10.1021/jm030585i | Androgen receptor | 1 |
| 15115388 | 10.1021/jm030585i | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine