Compound Detail
CHEMBL5189845
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 | CHEMBL5189845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYKORCFDSFAMND-XNRPTCFGSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
-0.10
ALogP
5
HBA
4
HBD
99.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fucose-binding lectin PA-IIL CHEMBL4523938 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.g-1 | Mus musculus |
| CL | 11.6 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.4 | hr | Mus musculus |
| T1/2 | 4.0 | hr | Homo sapiens |
| T1/2 | 1.157 | hr | Mus musculus |
| T1/2 | 1.985 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fucose-binding lectin PA-IIL | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Pseudomonas aeruginosa PAO1 LecB expressed in Escherichia coli BL2... | 36256875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36256875 | 10.1021/acs.jmedchem.2c01373 | ADMET | 8 |
| 36256875 | 10.1021/acs.jmedchem.2c01373 | Fucose-binding lectin PA-IIL | 1 |
| 36256875 | 10.1021/acs.jmedchem.2c01373 | HepG2 | 1 |
| 36256875 | 10.1021/acs.jmedchem.2c01373 | A549 | 1 |
| 36256875 | 10.1021/acs.jmedchem.2c01373 | CHO | 1 |
Data from ChEMBL 36 via Core Engine