Compound Detail
CHEMBL274984
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Basic Information
| ChEMBL ID | CHEMBL274984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUSXMZNUUMAUBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
1.96
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide s... | 11354365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354365 | 10.1016/s0960-894x(01)00156-1 | Nitric oxide synthase 1 | 2 |
Data from ChEMBL 36 via Core Engine