Compound Detail
CHEMBL472851
SKYRIN 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
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL472851 |
| Name | SKYRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQSXZQXHIJMNAF-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
3.75
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Raji CHEMBL614628 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
| Calu-1 CHEMBL613505 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
| WISH CHEMBL612811 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
| Botulinum neurotoxin type A CHEMBL5344 | IC50 | 4.5 | 4.5 | 31500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of human HeLa cell proliferation assessed as [3H]thymidine incorporat... | 11374975 |
| Raji | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of human Raji cell proliferation assessed as [3H]thymidine incorporat... | 11374975 |
| Calu-1 | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of human Calu1 cell proliferation assessed as [3H]thymidine incorpora... | 11374975 |
| Vero | IC50 | = | 18300.0 | nM | 4.74 | Inhibition of african green monkey Vero cell proliferation assessed as [3H]thymi... | 11374975 |
| WISH | IC50 | = | 21300.0 | nM | 4.67 | Inhibition of human WISH cell proliferation assessed as [3H]thymidine incorporat... | 11374975 |
| K562 | IC50 | = | 27300.0 | nM | 4.56 | Inhibition of human K562 cell proliferation assessed as [3H]thymidine incorporat... | 11374975 |
| Botulinum neurotoxin type A | IC50 | = | 31500.0 | nM | 4.5 | Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTR... | 24900483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11374975 | 10.1021/np000569d | Raji | 6 |
| 11374975 | 10.1021/np000569d | HeLa | 6 |
| 11374975 | 10.1021/np000569d | WISH | 6 |
| 11374975 | 10.1021/np000569d | Vero | 6 |
| 11374975 | 10.1021/np000569d | Calu-1 | 6 |
| 23534483 | 10.1021/jm301816a | Bacillus subtilis | 6 |
| 11374975 | 10.1021/np000569d | K562 | 6 |
| 24900483 | 10.1021/ml200312s | Botulinum neurotoxin type A | 5 |
| 23534483 | 10.1021/jm301816a | Staphylococcus aureus | 4 |
| 23534483 | 10.1021/jm301816a | Escherichia coli | 2 |
| 31980363 | 10.1016/j.bmc.2019.115279 | SU.86.86 | 1 |
| 23534483 | 10.1021/jm301816a | THP-1 | 1 |
| 23534483 | 10.1021/jm301816a | BALB/3T3 | 1 |
| 23534483 | 10.1021/jm301816a | Streptococcus pneumoniae | 1 |
| 23534483 | 10.1021/jm301816a | Streptococcus agalactiae | 1 |
| 23534483 | 10.1021/jm301816a | Streptococcus pyogenes | 1 |
| 23534483 | 10.1021/jm301816a | Enterococcus faecalis | 1 |
| 23534483 | 10.1021/jm301816a | Enterococcus faecium | 1 |
| 23534483 | 10.1021/jm301816a | Pseudomonas aeruginosa | 1 |
| 23534483 | 10.1021/jm301816a | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine