Compound Detail
CHEMBL549452
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Basic Information
| ChEMBL ID | CHEMBL549452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIHWYXBMKRYMEL-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.09
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.79 | 5.79 | 1618.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1618.3 | nM | 5.79 | Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli by... | 19329311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19329311 | 10.1016/j.bmcl.2009.03.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine