Compound Detail
CHEMBL3758566
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Basic Information
| ChEMBL ID | CHEMBL3758566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUQXQUHPHVVGPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
5.09
ALogP
8
HBA
2
HBD
94.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme subunit 1 CHEMBL1615388 | IC50 | 4.48 | 4.48 | 33200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme subunit 1 | IC50 | = | 33200.0 | nM | 4.48 | Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as su... | 26810265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26810265 | 10.1016/j.bmcl.2016.01.030 | SUMO-activating enzyme subunit 1 | 4 |
Data from ChEMBL 36 via Core Engine