Compound Detail
CHEMBL41060
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 | CHEMBL41060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPVWRXBVNNXNND-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
148.2
MW (Da)
0.33
ALogP
4
HBA
2
HBD
69.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 25000.0 | nM | 4.6 | Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed... | - |
| Nitric oxide synthase, inducible | IC50 | = | 31000.0 | nM | 4.51 | Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed... | - |
| Nitric oxide synthase 1 | IC50 | = | 77000.0 | nM | 4.11 | Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00273-V | Nitric oxide synthase, inducible | 2 |
| - | 10.1016/0960-894X(95)00273-V | Nitric oxide synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00273-V | Nitric oxide synthase 3 | 1 |
Data from ChEMBL 36 via Core Engine