Compound Detail
CHEMBL5411560
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
CCN(C[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)c1ccc(OC)c(C#N)c1
Basic Information
| ChEMBL ID | CHEMBL5411560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBFNQXASZXCUFE-QTQZEZTPSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
0.08
ALogP
12
HBA
3
HBD
175.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 7.29 | 7.29 | 51.7 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 5.22 | 471.9 | 2 |
| mRNA cap guanine-N7 methyltransferase CHEMBL4295662 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 51.7 | nM | 7.29 | Inhibition of N-terminal 6His-tagged SARS-CoV nsp14 N7-methyltransferase activit... | 37192550 |
| Replicase polyprotein 1ab | IC50 | = | 62.0 | nM | 7.21 | Inhibition of N-terminal 6His-tagged SARS-CoV 2 nsp14 N7-methyltransferase activ... | 37192550 |
| Unchecked | IC50 | = | 471.9 | nM | 6.33 | Inhibition of N-terminal 6His-tagged MERS-CoV nsp14 N7-methyltransferase activit... | 37192550 |
| mRNA cap guanine-N7 methyltransferase | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of N-terminal 6His-tagged human RNMT activity expressed in Escherichi... | 37192550 |
| Unchecked | IC50 | = | 76900.0 | nM | 4.11 | Inhibition of N-terminal 6His-tagged SARS-CoV 2 nsp10/nsp16 2'O-methyltransferas... | 37192550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37192550 | 10.1016/j.ejmech.2023.115474 | Replicase polyprotein 1ab | 4 |
| 37192550 | 10.1016/j.ejmech.2023.115474 | Nonstructural protein 5 | 2 |
| 37192550 | 10.1016/j.ejmech.2023.115474 | mRNA cap guanine-N7 methyltransferase | 2 |
| 37192550 | 10.1016/j.ejmech.2023.115474 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine