Compound Detail
CHEMBL4211173
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 | CHEMBL4211173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKXJJBFRQWADNO-NBVRZTHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.12
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase CHEMBL1075209 | Kd | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase | Kd | = | 18000.0 | nM | 4.75 | Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quench... | 29459206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29459206 | 10.1016/j.bmcl.2018.02.027 | Pseudomonas aeruginosa | 2 |
| 29459206 | 10.1016/j.bmcl.2018.02.027 | Heme oxygenase | 1 |
Data from ChEMBL 36 via Core Engine