Compound Detail
CHEMBL1603825
SCANDENIN Enter ChEMBL ID:
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COc1c(CC=C(C)C)c2c(c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)C=CC(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL1603825 |
| Name | SCANDENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAKJUGSASOCUFQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.57
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Ki 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.13 | 6.13 | 741.3 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 5.97 | 5.97 | 1071.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19969457 | 10.1016/j.bmcl.2009.11.103 | Achaea janata | 20 |
| 21314138 | 10.1021/jf104411h | Tribolium castaneum | 4 |
| 21314138 | 10.1021/jf104411h | Rhyzopertha dominica | 4 |
| 21314138 | 10.1021/jf104411h | Sitophilus oryzae | 4 |
| 21314138 | 10.1021/jf104411h | Callosobruchus chinensis | 4 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 3 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 3 |
Data from ChEMBL 36 via Core Engine