Compound Detail
CHEMBL551538
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Basic Information
| ChEMBL ID | CHEMBL551538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYYOYEYVPSCONC-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
2.74
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.17 | 6.17 | 682.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 682.4 | nM | 6.17 | 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