Compound Detail
CHEMBL392394
GS-39783 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL392394 |
| Name | GS-39783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSGVDKOCBKBMGG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.82
ALogP
7
HBA
2
HBD
93.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2064 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| GABA-B receptor CHEMBL2111463 | EC50 | 6.13 | 6.13 | 741.3 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 | EC50 | = | 79.43 | nM | 7.1 | Positive allosteric modulation at human GABA-B 1b expressed in CHO cells co-expr... | 28408223 |
| GABA-B receptor | EC50 | = | 741.31 | nM | 6.13 | Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on ... | 17884493 |
| NIH3T3 | IC50 | = | 60000.0 | nM | 4.22 | Cytotoxicity against mouse NIH/3T3 cells after 24 hrs by neutral red staining-ba... | 23544432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| 23544432 | 10.1021/jm400144w | Mus musculus | 21 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5058564 | U2OS | 6 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| 17884493 | 10.1016/j.bmcl.2007.09.023 | GABA-B receptor | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 28408223 | 10.1016/j.bmcl.2017.03.084 | Gamma-aminobutyric acid type B receptor subunit 1 | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine