ID: ALA3143785

Max Phase: Preclinical

Molecular Formula: C18H32N2O5Si

Molecular Weight: 384.55

Molecule Type: Small molecule

Representations

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

Standard InChI:  InChI=1S/C18H32N2O5Si/c1-11(2)26(12(3)4,13(5)6)24-10-15-14(21)9-17(25-15)20-8-7-16(22)19-18(20)23/h7-8,11-15,17,21H,9-10H2,1-6H3,(H,19,22,23)/t14-,15+,17+/m0/s1

Standard InChI Key:  ZKTWJRLCMJWTCV-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: 384.55

Molecular Weight (Monoisotopic): 384.2080

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