Compound Detail
CHEMBL2398347
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
CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](OC)[C@@H]3OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(N)nc21
Basic Information
| ChEMBL ID | CHEMBL2398347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPQRAMFGJCBMJP-XPWFQUROSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
718.5
MW (Da)
-1.74
ALogP
20
HBA
6
HBD
327.6
PSA (Ų)
0.13
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic di-GMP phosphodiesterase RocR CHEMBL2396510 | IC50 | 5.19 | 5.19 | 6410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic di-GMP phosphodiesterase RocR | IC50 | = | 6410.0 | nM | 5.19 | Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR exp... | 23685177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23685177 | 10.1016/j.bmc.2013.04.050 | Unchecked | 2 |
| 23685177 | 10.1016/j.bmc.2013.04.050 | Cyclic di-GMP phosphodiesterase RocR | 1 |
Data from ChEMBL 36 via Core Engine