Compound Detail
CHEMBL1713547
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Basic Information
| ChEMBL ID | CHEMBL1713547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSGGHSDBNZOIHX-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
3.06
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 29300.0 | nM | 4.53 | Binding affinity to Pseudomonas aeruginosa apo Heme oxygenase expressed in Esche... | 23379514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23379514 | 10.1021/jm301819k | Pseudomonas aeruginosa | 3 |
| 23379514 | 10.1021/jm301819k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine