Compound Detail
CHEMBL5954700
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C[C@@H]1CC2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCCCCP(=O)(O)O)C(=O)SCF
Basic Information
| ChEMBL ID | CHEMBL5954700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXGFMAQEKRLSND-VATHXYDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
622.6
MW (Da)
4.76
ALogP
7
HBA
3
HBD
138.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.14 | nM | 9.85 | GILZ gene assays: HUT78 cells were cultured in IMEM plus 20% heat inactivated FB... | - |
Data from ChEMBL 36 via Core Engine