Compound Detail
CHEMBL2171698
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
C[N+](C)(C)c1ccc(-c2c3nc(c(-c4ccc([N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc([N+](C)(C)C)cc4)c4nc(c(-c5ccc(C(F)(F)F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
Basic Information
| ChEMBL ID | CHEMBL2171698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRDLMPZDRSZNQZ-APYASCQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
857.1
MW (Da)
12.93
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 160.0 | nM | 6.8 | Antifungal activity against 10'7 CFU/mL Candida albicans PC31 preincubated for 3... | 23142673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23142673 | 10.1016/j.ejmech.2012.10.018 | Candida albicans | 5 |
| 23142673 | 10.1016/j.ejmech.2012.10.018 | Nucleic Acid | 5 |
Data from ChEMBL 36 via Core Engine