Compound Detail
CHEMBL3666808
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C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCCC3)c2)c1)c1ccc2c(c1)OCCO2
Basic Information
| ChEMBL ID | CHEMBL3666808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVPULAGDRCHQCB-WRGVRERRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
604.6
MW (Da)
5.75
ALogP
7
HBA
2
HBD
103.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.1 | 8.96 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.796 | nM | 9.1 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
| Glucocorticoid receptor | IC50 | = | 1.3 | nM | 8.89 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
| Glucocorticoid receptor | IC50 | = | 1.3 | nM | 8.89 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
Data from ChEMBL 36 via Core Engine