Compound Detail
CHEMBL1911678
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
Basic Information
| ChEMBL ID | CHEMBL1911678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMNXWOFCUJJYEO-GBXCKJPGSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
3.82
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ceramide glucosyltransferase CHEMBL2063 | IC50 | 8.7 | 8.375 | 2.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ceramide glucosyltransferase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the ... | 21974949 |
| Ceramide glucosyltransferase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis afte... | 22497444 |
| Ceramide glucosyltransferase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catal... | 21974949 |
| Ceramide glucosyltransferase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry a... | 22497444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22497444 | 10.1021/jm300122u | Mus musculus | 4 |
| 21974949 | 10.1016/j.bmcl.2011.09.037 | Ceramide glucosyltransferase | 2 |
| 22497444 | 10.1021/jm300122u | Ceramide glucosyltransferase | 2 |
Data from ChEMBL 36 via Core Engine