Compound Detail
CHEMBL258230
AVICENNOL 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 | CHEMBL258230 |
| Name | AVICENNOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXYRILDCSATJFU-CSKARUKUSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.77
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.11
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.11 | 6.11 | 770.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.11 | 6.11 | 780.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.07 | 5.07 | 8460.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.05 | 5.05 | 8980.0 | 1 |
| Carbonic anhydrase 13 CHEMBL3912 | Ki | 4.53 | 4.53 | 29300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 32020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 780.0 | nM | 6.11 | Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| Carbonic anhydrase 12 | Ki | = | 770.0 | nM | 6.11 | Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydratio... | 22892213 |
| Carbonic anhydrase 1 | Ki | = | 8460.0 | nM | 5.07 | Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| Carbonic anhydrase 7 | Ki | = | 8980.0 | nM | 5.05 | Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| Carbonic anhydrase 13 | Ki | = | 29300.0 | nM | 4.53 | Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydratio... | 22892213 |
| NON-PROTEIN TARGET | IC50 | = | 32020.0 | nM | 4.5 | Antiinflammatory activity in human neutrophils assessed as inhibition of formyl-... | 18211005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18211005 | 10.1021/np070594k | NON-PROTEIN TARGET | 2 |
| 22304006 | 10.1021/np2004165 | NON-PROTEIN TARGET | 2 |
| 22304006 | 10.1021/np2004165 | Unchecked | 2 |
| 16309303 | 10.1021/np050250z | Candida albicans | 1 |
| 16309303 | 10.1021/np050250z | Cryptococcus neoformans | 1 |
| 16309303 | 10.1021/np050250z | Saccharomyces cerevisiae | 1 |
| 16309303 | 10.1021/np050250z | Aspergillus fumigatus | 1 |
| 16309303 | 10.1021/np050250z | Trichophyton mentagrophytes | 1 |
| 22304006 | 10.1021/np2004165 | ADMET | 1 |
| 22304006 | 10.1021/np2004165 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 2 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 13 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 7 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 1 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 9 | 1 |
| 22892213 | 10.1016/j.bmc.2012.07.021 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine