Compound Detail
CHEMBL4206766
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Basic Information
| ChEMBL ID | CHEMBL4206766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRNCZWQQVCTSAL-GXDHUFHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase CHEMBL1075209 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase | Kd | = | 2300.0 | nM | 5.64 | 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