Compound Detail
CHEMBL5557167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2nnc(-c3ccc(Cl)c(Cl)c3)o2)n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL5557167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXCXMVYVUHVFLP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
491.3
MW (Da)
1.25
ALogP
11
HBA
1
HBD
116.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADP-sugar pyrophosphatase CHEMBL4105713 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| ADP-sugar pyrophosphatase CHEMBL4105713 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADP-sugar pyrophosphatase | EC50 | = | 2.5 | nM | 8.6 | Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 ... | 38635563 |
| ADP-sugar pyrophosphatase | IC50 | = | 29.0 | nM | 7.54 | Affinity Biochemical interaction: (MG assay) EUB0002332a NUDT5 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5715260 | 5-hydroxytryptamine receptor 1B | 2 |
| - | 10.6019/CHEMBL5724709 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5724709 | U2OS | 2 |
| - | 10.6019/CHEMBL5724709 | Fibroblast | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| 38635563 | 10.1021/acs.jmedchem.4c00072 | ADP-sugar pyrophosphatase | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5723035 | ADP-sugar pyrophosphatase | 1 |
| - | 10.6019/CHEMBL5715260 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.6019/CHEMBL5715260 | Sodium-dependent dopamine transporter | 1 |
| - | 10.6019/CHEMBL5715260 | Sodium-dependent noradrenaline transporter | 1 |
| - | 10.6019/CHEMBL5715260 | Oxidized purine nucleoside triphosphate hydrolase | 1 |
Data from ChEMBL 36 via Core Engine