Compound Detail
CHEMBL392184
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Basic Information
| ChEMBL ID | CHEMBL392184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZQHUVRBPILAX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
152.6
MW (Da)
2.22
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Kd 1 meas. best 3.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.66 | 4.605 | 22000.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Kd | 3.75 | 3.75 | 180000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of rat neuronal NOS | 17395463 |
| Nitric oxide synthase 1 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of NOS1 | 19679481 |
| Nitric oxide synthase 1 | IC50 | = | 28000.0 | nM | 4.55 | In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide s... | 11354365 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Kd | = | 180000.0 | nM | 3.75 | Binding affinity to human DYRK1A (127 to 485 residues) expressed in Escherichia ... | 36288453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17395463 | 10.1016/j.bmcl.2007.03.024 | Nitric oxide synthase 1 | 2 |
| 11354365 | 10.1016/s0960-894x(01)00156-1 | Nitric oxide synthase 1 | 1 |
| 19679481 | 10.1016/j.bmc.2009.07.067 | Nitric oxide synthase 1 | 1 |
| 36288453 | 10.1021/acs.jmedchem.2c00951 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine