Compound Detail
CHEMBL3273977
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C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)N(CCCl)CCCl
Basic Information
| ChEMBL ID | CHEMBL3273977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQGFQUCPOMICOL-OKKNSTDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
3.71
ALogP
6
HBA
2
HBD
104.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3144 | Kd | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Kd | = | 430.0 | nM | 6.37 | Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocort... | 926113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 926113 | 10.1021/jm00219a005 | Glucocorticoid receptor | 2 |
| 926113 | 10.1021/jm00219a005 | No relevant target | 2 |
| 926113 | 10.1021/jm00219a005 | L929 | 1 |
Data from ChEMBL 36 via Core Engine