ID: ALA2114472

Max Phase: Preclinical

Molecular Formula: C6H13NO2Se

Molecular Weight: 210.13

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  CCC[Se]C[C@@H](N)C(=O)O

Standard InChI:  InChI=1S/C6H13NO2Se/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1

Standard InChI Key:  WHMLECIOVIMZLK-RXMQYKEDSA-N

Associated Targets(Human)

Kynurenine--oxoglutarate transaminase I 96 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Properties

Molecular Weight: 210.13Molecular Weight (Monoisotopic): 211.0111AlogP: #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]

Source