Compound Detail
CHEMBL470243
ASPIROCHLORINE 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
Basic Information
| ChEMBL ID | CHEMBL470243 |
| Name | ASPIROCHLORINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMFSSFONDVHNFO-AUTRQRHGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
1.42
ALogP
7
HBA
2
HBD
88.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 28.0 | nM | 7.55 | Antifungal activity against azole-resistant Candida albicans 99-788 | 16124785 |
| CCRF-CEM | IC50 | = | 580.0 | nM | 6.24 | Cytotoxicity against human CEM cells after 96 hrs | 16124785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124785 | 10.1021/np050141k | Candida albicans | 1 |
| 16124785 | 10.1021/np050141k | CCRF-CEM | 1 |
| 16124785 | 10.1021/np050141k | ADMET | 1 |
Data from ChEMBL 36 via Core Engine