6-{2-[(6S)-6-hydroxyheptyl]-1,3-thiazol-4-yl}-4,5-dimethoxypyridine-2-carboxylic acid
AlkaPlorer ID: AK510343
Synonym: None
IUPAC Name: 6-[2-(6-hydroxyheptyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboxylic acid
Structure
SMILES: COC1=CC(C(=O)O)=NC(C2=CSC(CCCCCC(C)O)=N2)=C1OC
InChI: InChI=1S/C18H24N2O5S/c1-11(21)7-5-4-6-8-15-19-13(10-26-15)16-17(25-3)14(24-2)9-12(20-16)18(22)23/h9-11,21H,4-8H2,1-3H3,(H,22,23)
InChIKey: RGHLFUKUTGFTCO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 380.4660000000001
TPSA？: 101.77
MolLogP？: 3.404200000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Endothelin-converting enzyme 1 | IC50 | 1300.0 | nM | 10.1016/s0960-894x(98)00375-8 |