Compound Detail
CHEMBL15921
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Basic Information
| ChEMBL ID | CHEMBL15921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCBANHQTMCETBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
148.2
MW (Da)
1.57
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 6300.0 | nM | 5.2 | 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 | Mus musculus | 4 |
| 11354365 | 10.1016/s0960-894x(01)00156-1 | Nitric oxide synthase 1 | 3 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase, inducible | 1 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine