Thio-THIP
AlkaPlorer ID: AK252540
Synonym: None
IUPAC Name: 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one
Structure
SMILES: OC1=NSC2=C1CCNC2
InChI: InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChIKey: DZYJTJJQGHXSFN-UHFFFAOYSA-N
Reference
Miliusanes, A Class of Cytotoxic Agents from <i>Miliusa sinensis</i>
PubChem CID: 44383023
CAS: 97164-95-9
SuperNatural Ⅲ: SN0080043
COCONUT: CNP0141498
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 156.20999999999998
TPSA？: 45.150000000000006
MolLogP？: 0.4944
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Felis catus | Felis catus | GABA enhancement | nan | None | 10.1021/jm00360a020 |
| Felis catus | Felis catus | Glycine antagonism | nan | None | 10.1021/jm00360a020 |
| Homo sapiens | GABA-A receptor; anion channel | GABA agonism | nan | None | 10.1021/jm00360a020 |
| Rattus norvegicus | GABA-A receptor; anion channel | IC50 | 42000.0 | nM | 10.1021/jm00360a020 |
| Rattus norvegicus | GABA transporter | IC50 | 220000.0 | nM | 10.1021/jm00360a020 |
| None | No relevant target | pKa | 6.1 | None | 10.1021/jm00360a020 |
| None | No relevant target | pKa | 8.5 | None | 10.1021/jm00360a020 |
| None | Unchecked | Ratio | 16.0 | None | 10.1021/jm00360a020 |