methyl 2-[(Z)-[hydroxy(methoxy)methylidene]amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
AlkaPlorer ID: AK135559
Synonym: None
IUPAC Name: methyl 2-(methoxycarbonylamino)-3-(3-methylimidazol-4-yl)propanoate
Structure
SMILES: COC(=O)NC(CC1=CN=CN1C)C(=O)OC
InChI: InChI=1S/C10H15N3O4/c1-13-6-11-5-7(13)4-8(9(14)16-2)12-10(15)17-3/h5-6,8H,4H2,1-3H3,(H,12,15)
InChIKey: JPHHKAWWKOJODV-UHFFFAOYSA-N
Reference
Structure based design of novel inhibitors for histidinol dehydrogenase from Geotrichum candidum
PubChem CID: 54586559
LOTUS: LTS0003029
NPASS: NPC470140
COCONUT: CNP0151668
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 241.247
TPSA？: 82.45
MolLogP？: -0.1398000000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 10600.0 | nM | 10.1016/j.bmcl.2010.04.116 |