SB-219383
AlkaPlorer ID: AK026283
Synonym: None
IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid
Structure
SMILES: N[C@@H](CC1=CC=C(O)C=C1)C(O)=NC(C(=O)O)[C@H]1[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O
InChI: InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10?,11-,12-,13-,15-,17+/m0/s1
InChIKey: JOBDOAKLPNMGKV-DSPXQUDOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 413.3830000000001
TPSA？: 209.53
MolLogP？: -2.4456999999999964
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Tyrosyl-tRNA synthetase | IC50 | 1.4 | nM | 10.1016/s0960-894x(00)00348-6 |
| Homo sapiens | Tyrosyl-tRNA synthetase | IC50 | 22000.0 | nM | 10.1016/s0960-894x(00)00348-6 |