Compound Detail
CHEMBL4080694
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O=C(CNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NCC(=O)NCC(=O)OCc5ccccc5)cnc34)cccc2c1)NCC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4080694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDPCBPHQTOFVFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
816.9
MW (Da)
4.76
ALogP
12
HBA
4
HBD
194.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| STAM-binding protein CHEMBL4105848 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| STAM-binding protein | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of AMSH (unknown origin) using DiUbK63TAMRA as substrate by fluoresce... | 28191850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28191850 | 10.1021/acs.jmedchem.6b01379 | 26S proteasome non-ATPase regulatory subunit 14 | 2 |
| 28191850 | 10.1021/acs.jmedchem.6b01379 | COP9 signalosome complex subunit 5 | 1 |
| 28191850 | 10.1021/acs.jmedchem.6b01379 | STAM-binding protein | 1 |
Data from ChEMBL 36 via Core Engine