Compound Detail
CHEMBL105278
GUANIDINOETHYLDISULFIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL105278 |
| Name | GUANIDINOETHYLDISULFIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRMTXMJNHRISQH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
236.4
MW (Da)
-0.67
ALogP
4
HBA
6
HBD
123.8
PSA (Ų)
0.15
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.85 | 5.61 | 1400.0 | 3 |
| Macrophage CHEMBL612578 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 1400.0 | nM | 5.85 | Concentration required for inhibition of nitric oxide production in LPS-activate... | 10560729 |
| Mus musculus | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against nitric oxide production in LPS-activated mouse perit... | 10714491 |
| Mus musculus | IC50 | = | 7400.0 | nM | 5.13 | Inhibitory concentration of compound on nitric oxide (NO) production in lipopoly... | 15780639 |
| Macrophage | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of LPS-induced NO production in ddY mouse macrophages after 20 hrs by... | 15270564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560729 | 10.1016/s0960-894x(99)00536-3 | Mus musculus | 6 |
| 15270564 | 10.1021/np030529k | Macrophage | 6 |
| 15270564 | 10.1021/np030529k | ADMET | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 15780639 | 10.1016/j.bmcl.2005.01.070 | Mus musculus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine