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ID: ALA1472699
Max Phase: Preclinical
Molecular Formula: C4H9NO2Se
Molecular Weight: 182.08
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: C[Se]C[C@@H](N)C(=O)O
Standard InChI: InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
Standard InChI Key: XDSSPSLGNGIIHP-GSVOUGTGSA-N
Associated Targets(Human) Molecule Features Natural Product: YesOral: 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
Properties Molecular Weight: 182.08Molecular Weight (Monoisotopic): 182.9798AlogP: #Rotatable Bonds: Polar Surface Area: Molecular Species: HBA: HBD: #RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski): CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD: Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:
References 1. Andreadou I, Menge WM, Commandeur JN, Worthington EA, Vermeulen NP.. (1996) Synthesis of novel Se-substituted selenocysteine derivatives as potential kidney selective prodrugs of biologically active selenol compounds: evaluation of kinetics of beta-elimination reactions in rat renal cytosol., 39 (10): [PMID:8642562 ] [10.1021/jm950750x ] 2. PubChem BioAssay data set,
