ID: ALA302828

Max Phase: Preclinical

Molecular Formula: C6H13NO2Se

Molecular Weight: 210.13

Molecule Type: Small molecule

Representations

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

Standard InChI:  InChI=1S/C6H13NO2Se/c1-4(2)10-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

Standard InChI Key:  DMJXDXNZRCNFOP-YFKPBYRVSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 210.13

Molecular Weight (Monoisotopic): 211.0111

AlogP:

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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:

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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

Source(1):

• Scientific Literature