Compound Detail
CHEMBL457530
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Basic Information
| ChEMBL ID | CHEMBL457530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDGMGEXADBMOMJ-LURJTMIESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
-0.74
ALogP
3
HBA
4
HBD
102.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 670.0 | nM | 6.17 | Inhibition of rat nNOS transfected in HEK293 cells assessed as inhibition consta... | 36063653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17895252 | 10.1074/jbc.m707231200 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 14 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 17895252 | 10.1074/jbc.m707231200 | Unchecked | 3 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 36063653 | 10.1016/j.bmc.2022.116970 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine