Compound Detail
CHEMBL1276312
6-ICOSYNOIC ACID 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 | CHEMBL1276312 |
| Name | 6-ICOSYNOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLNQNCPNBDSXTO-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
308.5
MW (Da)
6.34
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspergillus fumigatus CHEMBL363 | IC50 | 4.49 | 4.29 | 32300.0 | 2 |
| Candida albicans CHEMBL366 | IC50 | 4.27 | 4.17 | 53400.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | IC50 | = | 32300.0 | nM | 4.49 | Antifungal activity against Aspergillus fumigatus ATCC 204305 after 5 days by CL... | 18458131 |
| Candida albicans | IC50 | = | 53400.0 | nM | 4.27 | Antifungal activity against Candida albicans ATCC 200955 after 48 hrs by CLSI me... | 18458131 |
| Candida albicans | IC50 | = | 55000.0 | nM | 4.26 | Antifungal activity against Fluconazole resistant Candida albicans clinical isol... | 18458131 |
| Candida albicans | IC50 | = | 67300.0 | nM | 4.17 | Antifungal activity against Candida albicans ATCC 90028 after 48 hrs by CLSI met... | 18458131 |
| Candida albicans | IC50 | = | 81000.0 | nM | 4.09 | Antifungal activity against Candida albicans ATCC 60193 after 48 hrs by CLSI met... | 18458131 |
| Aspergillus fumigatus | IC50 | = | 81000.0 | nM | 4.09 | Antifungal activity against Aspergillus fumigatus ATCC 90906 after 5 days by CLS... | 18458131 |
| Candida albicans | IC50 | = | 86600.0 | nM | 4.06 | Antifungal activity against Fluconazole resistant Candida albicans clinical isol... | 18458131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18458131 | 10.1128/aac.01297-07 | Candida albicans | 14 |
| 18458131 | 10.1128/aac.01297-07 | Aspergillus fumigatus | 4 |
| 18458131 | 10.1128/aac.01297-07 | Pichia kudriavzevii | 3 |
| 18458131 | 10.1128/aac.01297-07 | Trichophyton mentagrophytes | 3 |
| 18458131 | 10.1128/aac.01297-07 | Cryptococcus neoformans | 2 |
| 18458131 | 10.1128/aac.01297-07 | Trichophyton rubrum | 2 |
| 18458131 | 10.1128/aac.01297-07 | Nakaseomyces glabratus | 1 |
| 18458131 | 10.1128/aac.01297-07 | Candida parapsilosis | 1 |
| 18458131 | 10.1128/aac.01297-07 | Candida tropicalis | 1 |
| 18458131 | 10.1128/aac.01297-07 | Aspergillus flavus | 1 |
| 18458131 | 10.1128/aac.01297-07 | Aspergillus niger | 1 |
| 18458131 | 10.1128/aac.01297-07 | SK-MEL | 1 |
| 18458131 | 10.1128/aac.01297-07 | KB | 1 |
| 18458131 | 10.1128/aac.01297-07 | BT-549 | 1 |
| 18458131 | 10.1128/aac.01297-07 | SK-OV-3 | 1 |
| 18458131 | 10.1128/aac.01297-07 | Vero | 1 |
| 18458131 | 10.1128/aac.01297-07 | LLC-PK1 | 1 |
Data from ChEMBL 36 via Core Engine