Compound Detail
CHEMBL404704
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Basic Information
| ChEMBL ID | CHEMBL404704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYRGCJGDPVUTFO-LJMJGZGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
4.42
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 10000.0 | nM | 5.0 | Effect on quorum sensing in Candida albicans assessed as inhibition of germ tube... | 18037299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18037299 | 10.1016/j.bmc.2007.11.011 | Candida albicans | 2 |
Data from ChEMBL 36 via Core Engine