Compound Detail
CHEMBL1890408
ALPHA-ENDOSULFAN 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
O=S1OC[C@@H]2[C@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL1890408 |
| Name | ALPHA-ENDOSULFAN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDYMFSUJUZBWLH-IOPZMNTHSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
3.69
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit beta-3 CHEMBL1847 | IC50 | 9.33 | 9.33 | 0.5 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 CHEMBL3885578 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 CHEMBL2095190 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| GABA-A receptor alpha-1/beta-3 CHEMBL4106151 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| GABA receptor subunit CHEMBL3986 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| GABA A receptor alpha-1/beta-1/gamma-2 CHEMBL2111392 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1/ beta-1 CHEMBL3885570 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12590481 | 10.1021/jf025892w | Root | 3 |
| 12590481 | 10.1021/jf025892w | Stem | 3 |
| 12590481 | 10.1021/jf025892w | Leaf | 3 |
| 12590481 | 10.1021/jf025892w | Unchecked | 3 |
| 12590481 | 10.1021/jf025892w | Fruit | 2 |
| - | 10.1584/jpestics.R07-07 | Unchecked | 2 |
| - | 10.1584/jpestics.R07-07 | GABA receptor subunit | 1 |
| - | 10.1584/jpestics.R07-07 | Gamma-aminobutyric acid receptor subunit beta-3 | 1 |
| - | 10.1584/jpestics.R07-07 | Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 | 1 |
| - | 10.1584/jpestics.R07-07 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
| - | 10.1584/jpestics.R07-07 | GABA-A receptor alpha-1/beta-3 | 1 |
| - | 10.1584/jpestics.R07-07 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| - | 10.1584/jpestics.R07-07 | Gamma-aminobutyric acid receptor subunit alpha-1/ beta-1 | 1 |
| - | 10.1584/jpestics.R07-07 | GABA A receptor alpha-1/beta-1/gamma-2 | 1 |
| - | 10.1584/jpestics.R07-07 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
| - | 10.1584/jpestics.R07-07 | Mus musculus | 1 |
| - | 10.1584/jpestics.R07-07 | Musca domestica | 1 |
| 12590481 | 10.1021/jf025892w | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine