Compound Detail
CHEMBL1963528
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 | CHEMBL1963528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGOJTWGOHRIUFP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
70.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine 1D receptor CHEMBL3638336 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.27 | 4.27 | 54000.0 | 2 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine 1D receptor | IC50 | = | 50.0 | nM | 7.3 | Binding Assay: 5-HT1D binding assays (agonist radioligand)were performed using b... | - |
| Nitric oxide synthase 1 | IC50 | = | 1780.0 | nM | 5.75 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 54000.0 | nM | 4.27 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 54000.0 | nM | 4.27 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase, inducible | IC50 | = | 58000.0 | nM | 4.24 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
Data from ChEMBL 36 via Core Engine