Anguibactin
AlkaPlorer ID: AK050126
Synonym: None
IUPAC Name: 2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
Structure
SMILES: O=C(C1=CSC(C2=CC=CC(O)=C2O)=N1)N(O)CCC1=CN=CN1
InChI: InChI=1S/C15H14N4O4S/c20-12-3-1-2-10(13(12)21)14-18-11(7-24-14)15(22)19(23)5-4-9-6-16-8-17-9/h1-3,6-8,20-21,23H,4-5H2,(H,16,17)
InChIKey: WYVQJMXTYHVYFT-UHFFFAOYSA-N
Reference
PubChem CID: 136016348
LOTUS: LTS0029471
NPASS: NPC41982
COCONUT: CNP0293202
{NPAtlas: NPA003158
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Vibrio anguillarum | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 346.3680000000001
TPSA？: 122.57
MolLogP？: 2.018499999999999
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PC-3 | IC50 | 15000.0 | nM | 10.1021/np900750g |