Compound Detail
CHEMBL471230
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Basic Information
| ChEMBL ID | CHEMBL471230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMDAQLXZGWQKFG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
506.0
MW (Da)
6.44
ALogP
7
HBA
2
HBD
107.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme subunit 1 CHEMBL1615388 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
| NH(3)-dependent NAD(+) synthetase CHEMBL5271 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 13400.0 | nM | 4.87 | Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblo... | 23920437 |
| SUMO-activating enzyme subunit 1 | IC50 | = | 13400.0 | nM | 4.87 | Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as su... | 26810265 |
| NH(3)-dependent NAD(+) synthetase | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of Bacillus anthracis NAD synthetase | 19249205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23920437 | 10.1016/j.bmcl.2013.07.022 | SUMO-activating enzyme | 4 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | NH(3)-dependent NAD(+) synthetase | 1 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | Bacillus anthracis | 1 |
| 26810265 | 10.1016/j.bmcl.2016.01.030 | SUMO-activating enzyme subunit 1 | 1 |
Data from ChEMBL 36 via Core Engine