Compound Detail
CHEMBL4070821
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Basic Information
| ChEMBL ID | CHEMBL4070821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXVAQLGAEXIKGT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
7.00
ALogP
10
HBA
2
HBD
109.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 6.4 | 6.16 | 400.0 | 2 |
| STAM-binding protein CHEMBL4105848 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| COP9 signalosome complex subunit 5 CHEMBL4105809 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity ... | 28191850 |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity ... | 28191850 |
| STAM-binding protein | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of AMSH (unknown origin) using DiUbK63TAMRA as substrate by fluoresce... | 28191850 |
| A549 | IC50 | = | 5800.0 | nM | 5.24 | Antiproliferative activity against human A549 cells after 72 hrs by Cell Titer-G... | 28191850 |
| HEK-293T | IC50 | = | 6400.0 | nM | 5.19 | Antiproliferative activity against human 293T cells after 72 hrs by Cell Titer-G... | 28191850 |
| COP9 signalosome complex subunit 5 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of CSN5 (unknown origin) using SCFskp2-Nedd8OG as substrate after 1 h... | 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 |
| 28191850 | 10.1021/acs.jmedchem.6b01379 | HEK-293T | 1 |
| 28191850 | 10.1021/acs.jmedchem.6b01379 | A549 | 1 |
| 28191850 | 10.1021/acs.jmedchem.6b01379 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine