Compound Detail
CHEMBL480256
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL480256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOZLHRKCAWGVML-ZKKBRJJYSA-N |
| Parent Compound | CHEMBL1186838 |
| Active Moiety | CHEMBL1186838 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
1.62
ALogP
5
HBA
4
HBD
75.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.84 | 6.84 | 144.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 5.1 | 5.1 | 7970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 144.0 | nM | 6.84 | Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin c... | 19125620 |
| Nitric oxide synthase, inducible | Ki | = | 7970.0 | nM | 5.1 | Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin... | 19125620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19125620 | 10.1021/jm801220a | Unchecked | 2 |
| 19125620 | 10.1021/jm801220a | Nitric oxide synthase 1 | 1 |
| 19125620 | 10.1021/jm801220a | Nitric oxide synthase 3 | 1 |
| 19125620 | 10.1021/jm801220a | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine