Compound Detail
CHEMBL98301
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Basic Information
| ChEMBL ID | CHEMBL98301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYEIDRSIIIFBFG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.6
MW (Da)
-0.08
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | The compound was tested for extent of UDP-[3H]-GlcNAc accumulation into the lume... | 8709123 |
| NON-PROTEIN TARGET | IC50 | = | 9000.0 | nM | 5.05 | In vitro inhibition of UDP-[3H]-GlcNAc import into the lumen of the Golgi membra... | 8709123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709123 | 10.1021/jm960175c | NON-PROTEIN TARGET | 1 |
| 8709123 | 10.1021/jm960175c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine