Moroxydine
AlkaPlorer ID: AK074378
Synonym: None
IUPAC Name: N-(diaminomethylidene)morpholine-4-carboximidamide
Structure
SMILES: N=C(N)NC(=N)N1CCOCC1
InChI: InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
InChIKey: KJHOZAZQWVKILO-UHFFFAOYSA-N
Reference
PubChem CID: 71655
CAS: 3731-59-7
SuperNatural Ⅲ: SN0187186
NPASS: NPC314598
COCONUT: CNP0117343
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 171.20399999999998
TPSA？: 98.22
MolLogP？: -1.2635599999999996
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 31622.8 | nM | None |
| Hepacivirus hominis | Hepatitis C virus | Inhibition | nan | % | 10.1016/j.bmcl.2015.09.029 |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.85 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -0.5 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Prelamin-A/C | Potency | 56.2 | nM | None |
| Homo sapiens | Trace amine-associated receptor 1 | Activity | nan | None | 10.1016/j.ejmech.2016.10.058 |
| Mus musculus | Trace amine-associated receptor 1 | Activity | nan | None | 10.1016/j.ejmech.2016.10.058 |
| Mus musculus | Trace amine-associated receptor 5 | EC50 | 10000.0 | nM | 10.1016/j.ejmech.2016.10.058 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | ADMET | LD50 | 225.0 | mg.kg-1 | 10.1016/j.ejmech.2021.113726 |
| None | ADMET | LD50 | 6250.0 | mg.kg-1 | 10.1016/j.ejmech.2021.113726 |
| None | NON-PROTEIN TARGET | Potency | 2.7 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 6.0 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 265.9 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 7492.9 | nM | None |