Compound Detail
CHEMBL5633567
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
CCOc1cccc(F)c1C#Cc1cn([C@H]2O[C@@H](CNS(N)(=O)=O)[C@H](O)[C@@H]2O)c2ncnc(N)c12
Basic Information
| ChEMBL ID | CHEMBL5633567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZTRUHFXPVXWRD-DBSRCYSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
-0.64
ALogP
10
HBA
5
HBD
187.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NEDD8-activating enzyme E1 regulatory subunit CHEMBL2016431 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NEDD8-activating enzyme E1 regulatory subunit | IC50 | = | 4.0 | nM | 8.4 | Inhibition of NAE (unknown origin) | 38320715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38320715 | 10.1016/j.bmcl.2024.129647 | NEDD8-activating enzyme E1 regulatory subunit | 1 |
Data from ChEMBL 36 via Core Engine