Compound Detail
CHEMBL375056
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Basic Information
| ChEMBL ID | CHEMBL375056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEERDLDQHLCRAU-JTQLQIEISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
-1.47
ALogP
6
HBA
6
HBD
144.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 2380.0 | nM | 5.62 | Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nit... | 17239601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17239601 | 10.1016/j.bmc.2007.01.001 | Unchecked | 2 |
| 17239601 | 10.1016/j.bmc.2007.01.001 | Nitric oxide synthase 1 | 1 |
| 17239601 | 10.1016/j.bmc.2007.01.001 | Nitric oxide synthase, inducible | 1 |
| 17239601 | 10.1016/j.bmc.2007.01.001 | Nitric oxide synthase 3 | 1 |
Data from ChEMBL 36 via Core Engine