Compound Detail
CHEMBL1349063
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O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCCC3)ccc1-2)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL1349063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYZXEEIUKQGUHB-UHFFFAOYSA-N |
3
Targets
14
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
3.24
ALogP
6
HBA
1
HBD
107.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 6.52
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.52 | 5.885 | 300.0 | 8 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.13 | 6.13 | 749.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.99 | 5.6675 | 1024.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26182238 | 10.1021/acs.jmedchem.5b00460 | Unchecked | 1 |
| 36332549 | 10.1016/j.ejmech.2022.114861 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine