Compound Detail
CHEMBL479488
SCHISANDRIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL479488 |
| Name | SCHISANDRIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTZKSTLPRTWFEV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.49
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 5.14 | 5.14 | 7200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate ... | 21413798 |
| Serine/threonine-protein kinase ATR | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substra... | 22835870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17129588 | 10.1016/j.lfs.2006.11.002 | Multidrug resistance-associated protein 1 | 6 |
| 25302569 | 10.1021/np500521v | Unchecked | 4 |
| 21413798 | 10.1021/jm101488z | Serine/threonine-protein kinase ATR | 1 |
| 21413798 | 10.1021/jm101488z | Serine-protein kinase ATM | 1 |
| 21413798 | 10.1021/jm101488z | DNA-dependent protein kinase catalytic subunit | 1 |
| 22835870 | 10.1016/j.bmcl.2012.06.053 | Serine/threonine-protein kinase ATR | 1 |
| 25302569 | 10.1021/np500521v | NON-PROTEIN TARGET | 1 |
| 30308411 | 10.1016/j.ejmech.2018.09.061 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine