Compound Detail
CHEMBL3590184
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 | CHEMBL3590184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTPJJZURVZIAID-CWVYHPPDSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.73
ALogP
6
HBA
4
HBD
90.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.2
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA-I galactophilic lectin CHEMBL3351196 | Kd | 5.2 | 5.2 | 6300.0 | 3 |
| Unchecked CHEMBL612545 | Kd | 5.2 | 5.2 | 6300.0 | 1 |
| Staphylococcus aureus CHEMBL352 | EC50 | 5.1 | 5.1 | 7970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 6300.0 | nM | 5.2 | Binding affinity to Pseudomonas aeruginosa LecA | - |
| PA-I galactophilic lectin | Kd | = | 6300.0 | nM | 5.2 | Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constan... | 35777073 |
| PA-I galactophilic lectin | Kd | = | 6300.0 | nM | 5.2 | Binding affinity to Pseudomonas aeruginosa PAO1 LecA assessed as dissociation co... | 26804741 |
| PA-I galactophilic lectin | Kd | = | 6300.0 | nM | 5.2 | Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constan... | 36549118 |
| Staphylococcus aureus | EC50 | = | 7970.0 | nM | 5.1 | Potentiation of vancomycin-induced antibacterial activity against methicillin re... | 35777073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00346A | Unchecked | 1 |
| 35777073 | 10.1021/acs.jmedchem.1c01039 | Staphylococcus aureus | 1 |
| 35777073 | 10.1021/acs.jmedchem.1c01039 | PA-I galactophilic lectin | 1 |
| 26804741 | 10.1021/acs.jmedchem.5b01698 | PA-I galactophilic lectin | 1 |
| 36549118 | 10.1016/j.ejmech.2022.115025 | PA-I galactophilic lectin | 1 |
Data from ChEMBL 36 via Core Engine