Compound Detail
CHEMBL2368401
(7S,8R)-6-ALLYLAMINO-7,8-DIMETHYL-8-PROPYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-OL 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
Basic Information
| ChEMBL ID | CHEMBL2368401 |
| Name | (7S,8R)-6-ALLYLAMINO-7,8-DIMETHYL-8-PROPYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-OL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQCVMYAEFTEFN-SCWIMFDPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.10
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| C-8 sterol isomerase ERG2 CHEMBL3224 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 40.0 | nM | 7.4 | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H... | 16033255 |
| C-8 sterol isomerase ERG2 | Ki | = | 4700.0 | nM | 5.33 | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe... | 16033255 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 9300.0 | nM | 5.03 | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev... | 16033255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033255 | 10.1021/jm049073+ | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 16033255 | 10.1021/jm049073+ | Sigma non-opioid intracellular receptor 1 | 1 |
| 16033255 | 10.1021/jm049073+ | C-8 sterol isomerase ERG2 | 1 |
Data from ChEMBL 36 via Core Engine