ID: ALA197786

Max Phase: Preclinical

Molecular Formula: C27H24N2O4Si

Molecular Weight: 468.59

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=c1ccn(C2C=CC(CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

Standard InChI:  InChI=1S/C27H24N2O4Si/c30-25-18-19-29(27(31)28-25)26-17-16-21(33-26)20-32-34(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,21,26H,20H2,(H,28,30,31)

Standard InChI Key:  YYVXCMVFYOLKQG-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: 468.59

Molecular Weight (Monoisotopic): 468.1505

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. Nguyen C, Kasinathan G, Leal-Cortijo I, Musso-Buendia A, Kaiser M, Brun R, Ruiz-Pérez LM, Johansson NG, González-Pacanowska D, Gilbert IH..  (2005)  Deoxyuridine triphosphate nucleotidohydrolase as a potential antiparasitic drug target.,  48  (19): [PMID:16161998] [10.1021/jm050111e]

Source

Source(1):

• Scientific Literature