Oglufanide; all-L-form, Di-Na salt
AlkaPlorer ID: AK009327
Synonym: Oglufamide disodium, Glufamide disodium
IUPAC Name: 4-amino-5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Structure
SMILES: NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)
InChIKey: LLEUXCDZPQOJMY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Thymus | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 333.3440000000001
TPSA？: 145.51
MolLogP？: 0.4719000000000006
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 19A1 | Inhibition | 3.0 | % | 10.1016/j.ejmech.2019.02.045 |
| Homo sapiens | Cytochrome P450 19A1 | Inhibition | 4.0 | % | 10.1016/j.ejmech.2019.02.045 |