ID: ALA1253585

Max Phase: Preclinical

Molecular Formula: C8H13NO4Se

Molecular Weight: 266.15

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[Se]1

Standard InChI:  InChI=1S/C8H13NO4Se/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1

Standard InChI Key:  KKXBBIBSXXTEOZ-FMDGEEDCSA-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: 266.15

Molecular Weight (Monoisotopic): 267.0010

AlogP:

#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. Kim EJ, Love DC, Darout E, Abdo M, Rempel B, Withers SG, Rablen PR, Hanover JA, Knapp S..  (2010)  OGA inhibition by GlcNAc-selenazoline.,  18  (19): [PMID:20822912] [10.1016/j.bmc.2010.08.010]

Source

Source(1):

• Scientific Literature