Compound Detail
CHEMBL4792264
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O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL4792264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCOIXGXTAHSKPI-BKUYFWCQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
3.45
ALogP
6
HBA
2
HBD
125.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10050.0 | nM | 5.0 | Inhibition of recombinant Candida albicans SAP2 using Dabcyl-Arg-Lys-Pro-Ala-Leu... | 32623209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32623209 | 10.1016/j.ejmech.2020.112515 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine