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-Methyl-3-(oxalyl-amino)-propionic acid ID: ALA420608
Chembl Id: CHEMBL420608
PubChem CID: 44322790
Max Phase: Preclinical
Molecular Formula: C6H9NO5
Molecular Weight: 175.14
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(CNC(=O)C(=O)O)C(=O)O
Standard InChI: InChI=1S/C6H9NO5/c1-3(5(9)10)2-7-4(8)6(11)12/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
Standard InChI Key: HKLDRBWRDSQJBJ-UHFFFAOYSA-N
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: 175.14Molecular Weight (Monoisotopic): 175.0481AlogP: -1.09#Rotatable Bonds: 3Polar Surface Area: 103.70Molecular Species: ACIDHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 2.65CX Basic pKa: ┄CX LogP: -0.59CX LogD: -7.26Aromatic Rings: ┄Heavy Atoms: 12QED Weighted: 0.47Np Likeness Score: 0.36
References 1. Cunliffe CJ, Franklin TJ, Hales NJ, Hill GB.. (1992) Novel inhibitors of prolyl 4-hydroxylase. 3. Inhibition by the substrate analogue N-oxaloglycine and its derivatives., 35 (14): [PMID:1321909 ] [10.1021/jm00092a016 ]