Compound Detail
CHEMBL2163792
DESOXYPEGANINE HYDROCHLORIDE HYDRATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2163792 |
| Name | DESOXYPEGANINE HYDROCHLORIDE HYDRATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKJPOYVNZMUHHI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL355821 |
| Active Moiety | CHEMBL355821 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
2.33
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.93 | 4.93 | 11810.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.92 | 4.92 | 11940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 11810.0 | nM | 4.93 | Inhibition of electric eel AChE by Ellman's method | 23062825 |
| Cholinesterase | IC50 | = | 11940.0 | nM | 4.92 | Inhibition of horse BChE by Ellman's method | 23062825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 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