Compound Detail
CHEMBL4227242
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 | CHEMBL4227242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPHMXMASSOWPHT-KAMYIIQDSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
4.04
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.55
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LgtC CHEMBL4295919 | IC50 | 4.55 | 4.375 | 28000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LgtC | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of recombinant Neisseria meningitidis glycosyltransferase LgtC using ... | 29602676 |
| LgtC | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of recombinant Neisseria meningitidis glycosyltransferase LgtC using ... | 29602676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29602676 | 10.1016/j.bmc.2018.03.006 | LgtC | 5 |
Data from ChEMBL 36 via Core Engine