Compound Detail
CHEMBL3138445
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@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL3138445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURFZBICLPNKBZ-DDYSHWNRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xenopus laevis CHEMBL613478 | EC50 | 7.16 | 6.605 | 70.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xenopus laevis | EC50 | = | 70.0 | nM | 7.16 | Anesthetic effect in Xenopus laevis assessed as loss of righting response | 17434649 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Displacement of [35S]TPBS from GABAA receptor in rat brain | 17434649 |
| Xenopus laevis | EC50 | = | 890.0 | nM | 6.05 | Anesthetic effect in Xenopus laevis assessed as loss of swimming response | 17434649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434649 | 10.1016/j.ejmech.2007.02.017 | Unchecked | 5 |
| 17434649 | 10.1016/j.ejmech.2007.02.017 | Xenopus laevis | 2 |
Data from ChEMBL 36 via Core Engine