Compound Detail
CHEMBL4854235
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O=S(=O)(c1cccc(-c2nnc(SSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)[nH]3)[nH]2)c1)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL4854235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPKVJQYEHLQITH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
650.8
MW (Da)
2.10
ALogP
12
HBA
2
HBD
176.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DCN1-like protein 1 CHEMBL4105838 | IC50 | 6.94 | 6.845 | 115.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DCN1-like protein 1 | IC50 | = | 115.0 | nM | 6.94 | Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed i... | 33756127 |
| DCN1-like protein 1 | IC50 | = | 177.22 | nM | 6.75 | Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed i... | 33756127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33756127 | 10.1016/j.ejmech.2021.113326 | DCN1-like protein 1 | 2 |
Data from ChEMBL 36 via Core Engine