Compound Detail
CHEMBL3196067
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 | CHEMBL3196067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNBBGQVXDNUNDG-LICLKQGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.82
ALogP
6
HBA
1
HBD
56.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.74 | 4.74 | 18343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 18343.0 | nM | 4.74 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Escherichia coli | 1 |
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Staphylococcus aureus | 1 |
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Bacillus subtilis | 1 |
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Candida albicans | 1 |
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Aspergillus niger | 1 |
| 31009913 | 10.1016/j.ejmech.2019.04.043 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine