4-Hydroxy-7-[1-hydroxy-2-(methylamino)ethyl]-2(3H)-benzothiazolone
AlkaPlorer ID: AK017225
Synonym: S 1319
IUPAC Name: 4-hydroxy-7-[1-hydroxy-2-(methylamino)ethyl]-3H-1,3-benzothiazol-2-one
Structure
SMILES: CNCC(O)C1=CC=C(O)C2=C1SC(=O)N2
InChI: InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)
InChIKey: AWWPNKWNJLNEKN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 240.284
TPSA？: 85.35
MolLogP？: 0.5480000000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Cavia porcellus | pD2 | 10.6 | None | 10.1016/s0960-894x(99)00205-x |
| Homo sapiens | Beta-1 adrenergic receptor | Kd | 120.0 | nM | 10.1016/s0960-894x(99)00205-x |
| Homo sapiens | Beta-1 adrenergic receptor | Ki | 60.6 | nM | 10.1016/j.bmcl.2010.06.136 |
| Homo sapiens | Beta-2 adrenergic receptor | Kd | 51.0 | nM | 10.1016/s0960-894x(99)00205-x |
| Homo sapiens | Beta-2 adrenergic receptor | Ki | 5.0 | nM | 10.1016/j.bmcl.2010.06.136 |