Compound Detail
CHEMBL1444741
DECOYININE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1444741 |
| Name | DECOYININE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZSSGAOAYPICBZ-SOCHQFKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
-1.68
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GMP synthase [glutamine-hydrolyzing] CHEMBL5721 | IC50 | 4.33 | 4.33 | 46500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GMP synthase [glutamine-hydrolyzing] | IC50 | = | 46500.0 | nM | 4.33 | Inhibition of human GMP synthase | 30964283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 30964283 | 10.1021/acs.jmedchem.9b00182 | GMP synthase [glutamine-hydrolyzing] | 1 |
Data from ChEMBL 36 via Core Engine