Methyl Carbamimidothioate
AlkaPlorer ID: AK319447
Synonym: None
IUPAC Name: methyl carbamimidothioate
Structure
SMILES: CSC(=N)N
InChI: InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
InChIKey: SDDKIZNHOCEXTF-UHFFFAOYSA-N
Reference
Neuroprotective Bibenzyl Glycosides of <i>Stemona </i><i>t</i><i>uberosa</i> Roots
PubChem CID: 5142
CAS: 2986-19-8
NPASS: NPC250834
Source
Properties Information
Molecule Weight: 90.151
TPSA？: 49.870000000000005
MolLogP？: 0.24287
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cerebroside-sulfatase | Potency | 535.8 | nM | None |
| 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-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 7943.3 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 25118.9 | nM | None |
| Homo sapiens | Nitric-oxide synthase, brain | Ki | 160.0 | nM | 10.1016/j.bmc.2008.04.036 |
| Homo sapiens | Nitric-oxide synthase, endothelial | IC50 | 7000.0 | nM | 10.1021/jm960481q |
| Homo sapiens | Nitric oxide synthase, inducible | IC50 | 3000.0 | nM | 10.1021/jm960481q |
| Homo sapiens | Nitric oxide synthase (inducible and endothelial) | Selectivity ratio | 2.3 | None | 10.1021/jm960481q |
| Mus musculus | BV-2 | Activity | nan | None | 10.1021/acs.jnatprod.9b01281 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 12.15 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.08 | % | 10.6019/CHEMBL4495565 |
| None | No relevant target | pKa | 9.83 | None | 10.1016/j.bmc.2011.10.068 |
| None | Unchecked | IC50 | 3600.0 | nM | 10.1021/acs.jnatprod.9b01281 |