Compound Detail
CHEMBL4777735
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCCCC(=O)O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL4777735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCGMKUOXHUHUGL-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
3.53
ALogP
8
HBA
3
HBD
167.5
PSA (Ų)
0.19
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 63980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 63980.0 | nM | 4.19 | 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 | 1 |
Data from ChEMBL 36 via Core Engine