Compound Detail
CHEMBL127739
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 | CHEMBL127739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQIZIZXOTXHJNR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
0.55
ALogP
3
HBA
4
HBD
99.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human inducible nitric oxide synthase | 10741561 |
| Nitric oxide synthase, inducible | IC50 | = | 73000.0 | nM | 4.14 | Tested for inhibition of mouse inducible nitric oxide synthase | 7525961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7525961 | 10.1021/jm00049a007 | Nitric oxide synthase, inducible | 2 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase, inducible | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase 3 | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase (inducible and endothelial) | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase 1 | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide sythases; iNOS & nNOS | 1 |
| 7525961 | 10.1021/jm00049a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine