Compound Detail
CHEMBL1240972
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CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)CC[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL1240972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIZANEHLUXUQLN-ITWDEHAESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
721.0
MW (Da)
5.27
ALogP
10
HBA
4
HBD
152.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splicing factor 3B subunit 3 CHEMBL1250378 | IC50 | 8.49 | 8.465 | 3.2 | 2 |
| WiDr CHEMBL614647 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splicing factor 3B subunit 3 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of SAP130 mediated cell growth in human WiDr cells | 17643112 |
| WiDr | IC50 | = | 3.2 | nM | 8.49 | Cytotoxicity against human WiDr cells | 17643112 |
| Splicing factor 3B subunit 3 | IC50 | = | 3.6 | nM | 8.44 | 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 | NON-PROTEIN TARGET | 4 |
| 17643112 | 10.1038/nchembio.2007.16 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine