ID: ALA3143772

Max Phase: Preclinical

Molecular Formula: C21H37N2O9PSi

Molecular Weight: 520.59

Molecule Type: Small molecule

Representations

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

Standard InChI:  InChI=1S/C21H37N2O9PSi/c1-8-29-33(27,30-9-2)14-19(25)28-13-16-15(32-34(6,7)21(3,4)5)12-18(31-16)23-11-10-17(24)22-20(23)26/h10-11,15-16,18H,8-9,12-14H2,1-7H3,(H,22,24,26)/t15-,16+,18+/m0/s1

Standard InChI Key:  TUDCVJPNFIYWFB-LZLYRXPVSA-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: 520.59

Molecular Weight (Monoisotopic): 520.2006

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