Compound Detail
CHEMBL474985
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CC(=O)[C@H]1[C@H](C(COC(N)=O)COC(N)=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL474985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFNPLBBMCCGINC-ZLSSVAASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.63
ALogP
6
HBA
3
HBD
141.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 86.0 | nM | 7.07 | Displacement of [35S]TBPS from Wistar rat brain GABAA receptor | 19290593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19290593 | 10.1021/jm801454a | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine