Compound Detail
CHEMBL594088
SCIRPUSIN A Enter ChEMBL ID:
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Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O3)cc1
Basic Information
| ChEMBL ID | CHEMBL594088 |
| Name | SCIRPUSIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJVQHVVOEFJLIO-BQYFGGCBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.36
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
IC50 1 meas. best 5.08
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 700.0 | nM | 6.16 | Inhibition of amyloid beta 25-35 fibril formation by using UV-visible measuremen... | 20452207 |
| Unchecked | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of Bacillus stearothermophilus alpha-glucosidase type IV using p-nitr... | 35367706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20452207 | 10.1016/j.bmcl.2009.09.074 | Unchecked | 2 |
| 3655799 | 10.1021/np50050a040 | NON-PROTEIN TARGET | 1 |
| 3655799 | 10.1021/np50050a040 | Agrobacterium tumefaciens | 1 |
| 3655799 | 10.1021/np50050a040 | Artemia salina | 1 |
| 3655799 | 10.1021/np50050a040 | Spodoptera frugiperda | 1 |
| 19646881 | 10.1016/j.bmc.2009.07.016 | NON-PROTEIN TARGET | 1 |
| 35367706 | 10.1016/j.ejmech.2022.114282 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine