Compound Detail
CHEMBL69234
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
Cc1nc(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O
Basic Information
| ChEMBL ID | CHEMBL69234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNFZSRRRZNXSMF-WUKNDPDISA-N |
17
Targets
27
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
1.43
ALogP
11
HBA
5
HBD
250.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 7.0
EC50 9 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL5496 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| P2X purinoceptor 1 CHEMBL2530 | EC50 | 7.0 | 7.0 | 99.0 | 1 |
| P2X purinoceptor 1 CHEMBL2530 | IC50 | 7.0 | 5.67 | 99.0 | 3 |
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | EC50 | 6.62 | 6.195 | 240.0 | 2 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | EC50 | 6.0 | 5.37 | 1000.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
| P2X purinoceptor 2 CHEMBL2135 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| P2X purinoceptor 6 CHEMBL2122 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| P2X purinoceptor 5 CHEMBL2495 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.21 | 4.885 | 6100.0 | 2 |
| P2X purinoceptor 5 CHEMBL4942 | IC50 | 5.07 | 5.07 | 8450.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 CHEMBL4295913 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| P2X purinoceptor 2 CHEMBL2135 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| P2X purinoceptor 4 CHEMBL2176849 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | EC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine