methyl 2-[(Z)-[ethoxy(hydroxy)methylidene]amino]-3-(1-methyl-1H-imidazol-4-yl)propanoate
AlkaPlorer ID: AK135553
Synonym: None
IUPAC Name: methyl 2-(ethoxycarbonylamino)-3-(1-methylimidazol-4-yl)propanoate
Structure
SMILES: CCOC(=O)NC(CC1=CN(C)C=N1)C(=O)OC
InChI: InChI=1S/C11H17N3O4/c1-4-18-11(16)13-9(10(15)17-3)5-8-6-14(2)7-12-8/h6-7,9H,4-5H2,1-3H3,(H,13,16)
InChIKey: YWUXMLPRMREDKJ-UHFFFAOYSA-N
Reference
Structure based design of novel inhibitors for histidinol dehydrogenase from Geotrichum candidum
PubChem CID: 54585577
LOTUS: LTS0115233
NPASS: NPC470139
COCONUT: CNP0310595
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 255.274
TPSA？: 82.45
MolLogP？: 0.2502999999999999
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 | 29300.0 | nM | 10.1016/j.bmcl.2010.04.116 |