Compound Detail
CHEMBL5745979
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CC12CCC3c4ccc(O)cc4CC(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3C1CCC2O
Basic Information
| ChEMBL ID | CHEMBL5745979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWUXBMIQPBEWFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
606.8
MW (Da)
8.68
ALogP
3
HBA
2
HBD
63.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.29 | nM | 8.64 | LanthaScreen Competitive Binding Assay: Compounds were screened for their abilit... | - |
Data from ChEMBL 36 via Core Engine