Compound Detail
CHEMBL2326966
SF-1126 🧪 Phase II
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🧪 Phase II
N=C(N)NCCC[C@H](NC(=O)CCC(=O)OC[N+]1(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CCOCC1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL2326966 |
| Name | SF-1126 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SVNJBEMPMKWDCO-KCHLEUMXSA-N |
| Active Moiety | CHEMBL98350 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names
4
Indications
2
Mechanisms
Molecular Properties
852.9
MW (Da)
-2.87
ALogP
14
HBA
9
HBD
341.7
PSA (Ų)
0.02
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase class I inhibitor | INHIBITOR | PI3-kinase class I | ✓ | ✓ |
| Serine/threonine-protein kinase mTOR inhibitor | INHIBITOR | Serine/threonine-protein kinase mTOR | ✓ | ✓ |
Indications
Carcinoma, Squamous Cell Carcinoma, Hepatocellular Neoplasms Neuroblastoma
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 13... | 30529546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23410005 | 10.1021/jm301522m | MCF7 | 1 |
| 30529546 | 10.1016/j.ejmech.2018.11.018 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine