Compound Detail
CHEMBL3137990
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3137990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLMOPJSSNJGYSZ-MQPLVTADSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.53
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.58 | 6.58 | 266.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 266.0 | nM | 6.58 | Ability to allosterically modulate the binding of [35S]TBPS to gamma-aminobutyri... | 9016329 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 390.0 | nM | 6.41 | Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned hum... | 9016329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016329 | 10.1021/jm960021x | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 9016329 | 10.1021/jm960021x | GABA-A receptor; anion channel | 1 |
| 9016329 | 10.1021/jm960021x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine