methyl 3-(1H-imidazol-5-yl)propanoate
AlkaPlorer ID: AK102205
Synonym: None
IUPAC Name: methyl 3-(1H-imidazol-5-yl)propanoate
Structure
SMILES: COC(=O)CCC1=CN=CN1
InChI: InChI=1S/C7H10N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey: YFEPBWKUBQUBKL-UHFFFAOYSA-N
Reference
Structure based design of novel inhibitors for histidinol dehydrogenase from Geotrichum candidum
PubChem CID: 565491
CAS: 31434-93-2
LOTUS: LTS0069796
COCONUT: CNP0181741
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 154.16900000000004
TPSA？: 54.98
MolLogP？: 0.5152999999999999
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 5200.0 | nM | 10.1016/j.bmcl.2010.04.116 |