Compound Detail
CHEMBL495807
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Basic Information
| ChEMBL ID | CHEMBL495807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUTAXVFHGXMUJY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
3.66
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4,4'-diapophytoene synthase CHEMBL5440 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4,4'-diapophytoene synthase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase ex... | 19456099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19456099 | 10.1021/jm9001764 | 4,4'-diapophytoene synthase | 1 |
Data from ChEMBL 36 via Core Engine