Compound Detail
CHEMBL1963157
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Basic Information
| ChEMBL ID | CHEMBL1963157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLVQDSCVFJYKIP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.01
ALogP
3
HBA
3
HBD
60.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine 1D receptor CHEMBL3638336 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.37 | 4.37 | 43000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine 1D receptor | IC50 | = | 56.0 | nM | 7.25 | Binding Assay: 5-HT1D binding assays (agonist radioligand)were performed using b... | - |
| Nitric oxide synthase 1 | IC50 | = | 14000.0 | nM | 4.85 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 43000.0 | nM | 4.37 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 43000.0 | nM | 4.37 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
Data from ChEMBL 36 via Core Engine