ID: ALA2114471

Max Phase: Preclinical

Molecular Formula: C10H13NO2Se

Molecular Weight: 258.18

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1ccc([Se]C[C@@H](N)C(=O)O)cc1

Standard InChI:  InChI=1S/C10H13NO2Se/c1-7-2-4-8(5-3-7)14-6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1

Standard InChI Key:  PBHMBFKSONWVHV-SECBINFHSA-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: 258.18

Molecular Weight (Monoisotopic): 259.0111

AlogP:

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HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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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