Compound Detail
CHEMBL32102
HOMOHYPOTAURINE 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 | CHEMBL32102 |
| Name | HOMOHYPOTAURINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPGXQDBNBFXJKB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
-0.44
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 60.0 | nM | 7.22 | Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain sy... | - |
| GABA-A receptor; anion channel | IC50 | = | 470.0 | nM | 6.33 | Binding affinity against Gamma-aminobutyric acid A receptor in rat brain synapto... | - |
| Cavia porcellus | IC50 | = | 1700.0 | nM | 5.77 | Compound was tested for its effect on EFS stimulated neuronal cholinergic contra... | - |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 4600.0 | nM | 5.34 | Partial agonist activity against human rho1 subunit GABA-C receptor expressed in... | 10780899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00307-1 | Cavia porcellus | 2 |
| 10780899 | 10.1021/jm9904349 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
| - | 10.1016/0960-894X(96)00307-1 | GABA B receptor | 1 |
| - | 10.1016/0960-894X(96)00307-1 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine