Compound Detail
CHEMBL5204534
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
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)NCc1ccco1
Basic Information
| ChEMBL ID | CHEMBL5204534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLCQFBPAIBTCRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
4.07
ALogP
8
HBA
3
HBD
157.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 CHEMBL5580 | Ki | 5.05 | 5.05 | 8880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | Ki | = | 8880.0 | nM | 5.05 | Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using... | 34355184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355184 | 10.1039/D1MD00117E | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
Data from ChEMBL 36 via Core Engine