ID: ALA4097145

Max Phase: Preclinical

Molecular Formula: C20H24N2O3Si

Molecular Weight: 368.51

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[Si](C)(C)CCOCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21

Standard InChI:  InChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-13-22-18-9-8-14(19(21)23)12-17(18)15-6-4-5-7-16(15)20(22)24/h4-9,12H,10-11,13H2,1-3H3,(H2,21,23)

Standard InChI Key:  GNYOWZHXOMSPBC-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: 368.51

Molecular Weight (Monoisotopic): 368.1556

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:

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QED Weighted:

Np Likeness Score:

References

1. Fukuda H, Karaki F, Dodo K, Noguchi-Yachide T, Ishikawa M, Hashimoto Y, Ohgane K..  (2017)  Phenanthridin-6-one derivatives as the first class of non-steroidal pharmacological chaperones for Niemann-Pick disease type C1 protein.,  27  (12): [PMID:28465104] [10.1016/j.bmcl.2017.04.062]

Source

Source(1):

• Scientific Literature