ID: ALA3143771

Max Phase: Preclinical

Molecular Formula: C19H35N2O8PSi

Molecular Weight: 478.56

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C

Standard InChI:  InChI=1S/C19H35N2O8PSi/c1-8-25-30(24,26-9-2)27-13-15-14(29-31(6,7)19(3,4)5)12-17(28-15)21-11-10-16(22)20-18(21)23/h10-11,14-15,17H,8-9,12-13H2,1-7H3,(H,20,22,23)/t14-,15+,17+/m0/s1

Standard InChI Key:  AKLZVNSHWYYYBS-ZMSDIMECSA-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: 478.56

Molecular Weight (Monoisotopic): 478.1900

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