ID: ALA3578023

Max Phase: Preclinical

Molecular Formula: C15H10O3Se

Molecular Weight: 317.20

Molecule Type: Small molecule

Representations

Canonical SMILES:  Oc1cc(O)c2c(=[Se])cc(-c3ccccc3)oc2c1

Standard InChI:  InChI=1S/C15H10O3Se/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8,16-17H

Standard InChI Key:  GXSVPARMGBJHNZ-UHFFFAOYSA-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: 317.20

Molecular Weight (Monoisotopic): 317.9795

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. Martins IL, Charneira C, Gandin V, Ferreira da Silva JL, Justino GC, Telo JP, Vieira AJ, Marzano C, Antunes AM..  (2015)  Selenium-containing chrysin and quercetin derivatives: attractive scaffolds for cancer therapy.,  58  (10): [PMID:25906385] [10.1021/acs.jmedchem.5b00230]

Source

Source(1):

• Scientific Literature