Compound Detail
CHEMBL483649
SALASPERMIC ACID Enter ChEMBL ID:
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C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2CC[C@@]1(O)OC3
Basic Information
| ChEMBL ID | CHEMBL483649 |
| Name | SALASPERMIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXENWDWQTWYUGY-RFBMWCEQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.65
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | IC50 | = | 53000.0 | nM | 4.28 | Cytotoxicity against human H9 cells | 1375626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15568791 | 10.1021/np040006s | PBMC | 12 |
| 1375626 | 10.1021/np50081a010 | Human immunodeficiency virus type 1 reverse transcriptase | 9 |
| 8158155 | 10.1021/np50103a001 | NON-PROTEIN TARGET | 4 |
| 14510595 | 10.1021/np0301543 | Aldo-keto reductase family 1 member B1 | 2 |
| 1375626 | 10.1021/np50081a010 | Human immunodeficiency virus 1 | 1 |
| 1375626 | 10.1021/np50081a010 | H9 | 1 |
| 1375626 | 10.1021/np50081a010 | Unchecked | 1 |
| 8158155 | 10.1021/np50103a001 | P388 | 1 |
| 8158155 | 10.1021/np50103a001 | HT-1080 | 1 |
| 8158155 | 10.1021/np50103a001 | Lu1 | 1 |
| 8158155 | 10.1021/np50103a001 | SK-MEL-2 | 1 |
| 8158155 | 10.1021/np50103a001 | KB | 1 |
| 8158155 | 10.1021/np50103a001 | A-431 | 1 |
| 8158155 | 10.1021/np50103a001 | LNCaP | 1 |
| 8158155 | 10.1021/np50103a001 | ZR-75-1 | 1 |
| 8158155 | 10.1021/np50103a001 | Col2 | 1 |
Data from ChEMBL 36 via Core Engine