Compound Detail
CHEMBL464196
SALPICHROLIDE A Enter ChEMBL ID:
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C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1
Basic Information
| ChEMBL ID | CHEMBL464196 |
| Name | SALPICHROLIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMZLVNBKAJDDJN-XZPDSABSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.39
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of 17beta-estradiol-induced in ERalpha positive human MCF7 cells prol... | 24908652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978207 | 10.1021/np0001068 | Musca domestica | 8 |
| 12027740 | 10.1021/np0106337 | Unchecked | 2 |
| 12027740 | 10.1021/np0106337 | Quinone oxidoreductase | 2 |
| 24908652 | 10.1016/j.ejmech.2014.05.067 | MCF7 | 2 |
| 12027740 | 10.1021/np0106337 | ADMET | 1 |
| 20438092 | 10.1021/np9006734 | MDA-MB-231 | 1 |
| 20438092 | 10.1021/np9006734 | NON-PROTEIN TARGET | 1 |
| 20438092 | 10.1021/np9006734 | MCF7 | 1 |
| 20438092 | 10.1021/np9006734 | T47D | 1 |
| 20438092 | 10.1021/np9006734 | SK-BR-3 | 1 |
| 24908652 | 10.1016/j.ejmech.2014.05.067 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine