Compound Detail
CHEMBL356703
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Basic Information
| ChEMBL ID | CHEMBL356703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDDKIZNHOCEXTF-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
90.2
MW (Da)
0.24
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 160.0 | nM | 6.8 | Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrulline | 18477512 |
| Nitric oxide synthase, inducible | IC50 | = | 3000.0 | nM | 5.52 | The compound was evaluated for the inhibitory potencies using human Inducible ni... | 8978842 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of LPS-induced NO production in mouse BV-2 cells | 32993289 |
| Nitric oxide synthase 3 | IC50 | = | 7000.0 | nM | 5.16 | The compound was evaluated for the inhibitory potencies using human Endothelial ... | 8978842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase, inducible | 1 |
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase 3 | 1 |
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase (inducible and endothelial) | 1 |
| 18477512 | 10.1016/j.bmc.2008.04.036 | Nitric oxide synthase 1 | 1 |
| 22112538 | 10.1016/j.bmc.2011.10.068 | No relevant target | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32993289 | 10.1021/acs.jnatprod.9b01281 | Unchecked | 1 |
| 32993289 | 10.1021/acs.jnatprod.9b01281 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine