Compound Detail
CHEMBL3218456
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
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3218456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKBZKOOBEPNDBB-LGMOUISASA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
3535.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fucose-binding lectin PA-IIL CHEMBL4523938 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 60.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Binding affinity to Pseudomonas aeruginosa lectin LecB after 1 hr by enzyme-link... | - |
| Fucose-binding lectin PA-IIL | IC50 | = | 140.0 | nM | 6.85 | Inhibition of biotinylated polymeric fucose binding to Pseudomonas aeruginosa Le... | 30347328 |
| Pseudomonas aeruginosa | IC50 | = | 10000.0 | nM | 5.0 | Antibiofilm activity against Pseudomonas aeruginosa | 30347328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00270D | Unchecked | 2 |
| - | 10.1039/C0MD00270D | ADMET | 2 |
| - | 10.1039/C0MD00270D | Serum | 1 |
| 30347328 | 10.1016/j.ejmech.2018.10.036 | Pseudomonas aeruginosa | 1 |
| 30347328 | 10.1016/j.ejmech.2018.10.036 | Fucose-binding lectin PA-IIL | 1 |
Data from ChEMBL 36 via Core Engine