Compound Detail
CHEMBL1242284
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CCNC(=O)O[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1242284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZBSTJJIOXFNLS-GMTUZNRTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
567.8
MW (Da)
4.43
ALogP
8
HBA
4
HBD
137.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splicing factor 3B subunit 3 CHEMBL1250378 | IC50 | 8.31 | 8.245 | 4.9 | 2 |
| WiDr CHEMBL614647 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splicing factor 3B subunit 3 | IC50 | = | 4.9 | nM | 8.31 | Inhibition of SAP130 mediated cell growth in human WiDr cells | 17643112 |
| WiDr | IC50 | = | 6.1 | nM | 8.21 | Cytotoxicity against human WiDr cells | 17643112 |
| Splicing factor 3B subunit 3 | IC50 | = | 6.6 | nM | 8.18 | Inhibition of SAP130 in VEGF-stimulated human U251 cells by PLAP reporter gene a... | 17643112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643112 | 10.1038/nchembio.2007.16 | Splicing factor 3B subunit 3 | 5 |
| 17643112 | 10.1038/nchembio.2007.16 | Splicing factor 3B subunit 2 | 1 |
| 17643112 | 10.1038/nchembio.2007.16 | Unchecked | 1 |
| 17643112 | 10.1038/nchembio.2007.16 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine