The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
2,6-Dideoxy-2,6-imino-D-glycero-D-ido-heptono nitrile ID: ALA3289678
Chembl Id: CHEMBL3289678
PubChem CID: 12852767
Max Phase: Preclinical
Molecular Formula: C7H12N2O4
Molecular Weight: 188.18
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: N#C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C7H12N2O4/c8-1-3-5(11)7(13)6(12)4(2-10)9-3/h3-7,9-13H,2H2/t3-,4-,5+,6-,7-/m1/s1
Standard InChI Key: WPLCPOIAQLRTDR-XUUWZHRGSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 188.18Molecular Weight (Monoisotopic): 188.0797AlogP: -3.07#Rotatable Bonds: 1Polar Surface Area: 116.74Molecular Species: NEUTRALHBA: 6HBD: 5#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 5#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.62CX Basic pKa: 3.65CX LogP: -3.14CX LogD: -3.14Aromatic Rings: ┄Heavy Atoms: 13QED Weighted: 0.30Np Likeness Score: 1.39
References 1. Zoidl M, Müller B, Torvisco A, Tysoe C, Benazza M, Siriwardena A, Withers SG, Wrodnigg TM.. (2014) Concise synthesis of C-1-cyano-iminosugars via a new Staudinger/aza Wittig/Strecker multicomponent reaction strategy., 24 (12): [PMID:24803362 ] [10.1016/j.bmcl.2014.03.069 ]