Compound Detail
CHEMBL1171146
SARSASAPOGENIN Enter ChEMBL ID:
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C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL1171146 |
| Name | SARSASAPOGENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMBQZIIUCVWOCD-WWASVFFGSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.79
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.98
Ki 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.98 | 6.98 | 104.7 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 6.61 | 6.61 | 245.5 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.42 | 4.42 | 38150.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.39 | 4.39 | 40340.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.31 | 4.31 | 49230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine