Compound Detail
CHEMBL1269106
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
Basic Information
| ChEMBL ID | CHEMBL1269106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUPAIRSANNAMDO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617854 |
| Active Moiety | CHEMBL1617854 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.50
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Selectivity ratio, ratio of IC50 for bovine eNOS to IC50 for mouse macrophage iN... | 20933416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Unchecked | 3 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 3 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 1 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine