ID: ALA511667

Max Phase: Preclinical

Molecular Formula: C24H54OSn2

Molecular Weight: 596.12

Molecule Type: Small molecule

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: 596.12

Molecular Weight (Monoisotopic): 598.2219

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. Sjögren M, Göransson U, Johnson AL, Dahlström M, Andersson R, Bergman J, Jonsson PR, Bohlin L..  (2004)  Antifouling activity of brominated cyclopeptides from the marine sponge Geodia barretti.,  67  (3): [PMID:15043412] [10.1021/np0302403]

2. PubChem BioAssay data set, 

3. PubChem BioAssay data set, 

4. Andjouh S, Blache Y..  (2019)  Parallel synthesis of a bis-triazoles library as psammaplin A analogues: A new wave of antibiofilm compounds?,  29  (4): [PMID:30600205] [10.1016/j.bmcl.2018.12.047]

Source

Source(2):

• Scientific Literature
• PubChem BioAssays