Compound Detail
CHEMBL106425
5-N-ALLYL-ARGININE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL106425 |
| Name | 5-N-ALLYL-ARGININE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPQWZDPOLXVMOU-ZETCQYMHSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
-0.73
ALogP
3
HBA
4
HBD
113.7
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.68
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.68 | 5.575 | 2100.0 | 2 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | Ki | 4.24 | 4.24 | 58000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2100.0 | nM | 5.68 | Compound was tested for the inhibition of inducible murine macrophage nitric oxi... | 1372655 |
| Unchecked | Ki | = | 3400.0 | nM | 5.47 | Compound was tested for the inhibition of inducible murine macrophage nitric oxi... | 1372655 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Ki | = | 58000.0 | nM | 4.24 | Inhibition of human DDAH1 by plate-reader assay | 19013076 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Ki | = | 58000.0 | nM | 4.24 | Inhibition of human DDAH1 expressed in Escherichia coli BL21 cells assessed as i... | 36063653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1372655 | 10.1021/jm00084a020 | Unchecked | 3 |
| 19013076 | 10.1016/j.bmc.2008.10.058 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 3 |
| 10447959 | 10.1021/jm990111c | Unchecked | 2 |
| 19013076 | 10.1016/j.bmc.2008.10.058 | Nitric oxide synthase, inducible | 2 |
| 19013076 | 10.1016/j.bmc.2008.10.058 | Nitric oxide synthase 1 | 2 |
| 19013076 | 10.1016/j.bmc.2008.10.058 | Nitric oxide synthase 3 | 2 |
| 36063653 | 10.1016/j.bmc.2022.116970 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine